From 70208ba2cd0756b218333d8484de7c3208394614 Mon Sep 17 00:00:00 2001
From: Sebastian Eibl <sebastian.eibl@fau.de>
Date: Tue, 28 May 2019 13:01:06 +0200
Subject: [PATCH] introduce mesa_pd module to official waLBerla
---
.gitlab-ci.yml | 33 +-
apps/benchmarks/CMakeLists.txt | 3 +-
apps/benchmarks/GranularGas/CMakeLists.txt | 14 +
apps/benchmarks/GranularGas/GenerateModule.py | 89 +
apps/benchmarks/GranularGas/GranularGas.cfg | 21 +
.../GranularGas/MESA_PD_GranularGas.cpp | 487 ++
.../GranularGas/MESA_PD_KernelBenchmark.cpp | 510 ++
.../PE_Benchmark.cfg} | 2 +-
.../PE_GranularGas.cpp} | 186 +-
apps/benchmarks/GranularGas/upload.py | 56 +
.../CMakeLists.txt | 4 +-
apps/benchmarks/LennardJones/LennardJones.cpp | 207 +
apps/benchmarks/PeriodicGranularGas/upload.py | 187 -
.../ProbeVsExtraMessage.cpp | 18 +
apps/tutorials/CMakeLists.txt | 1 +
apps/tutorials/mesa_pd/01_LennardJones.cpp | 105 +
apps/tutorials/mesa_pd/CMakeLists.txt | 5 +
apps/tutorials/mesa_pd/GranularGas.cfg | 14 +
python/mesa_pd.py | 101 +
python/mesa_pd/Container.py | 32 +
python/mesa_pd/Property.py | 91 +
python/mesa_pd/__init__.py | 0
python/mesa_pd/accessor/Accessor.py | 53 +
python/mesa_pd/accessor/__init__.py | 5 +
python/mesa_pd/data/ContactHistory.py | 28 +
python/mesa_pd/data/LinkedCells.py | 8 +
python/mesa_pd/data/ParticleStorage.py | 46 +
python/mesa_pd/data/ShapeStorage.py | 19 +
python/mesa_pd/data/__init__.py | 11 +
python/mesa_pd/kernel/DoubleCast.py | 19 +
python/mesa_pd/kernel/ExplicitEuler.py | 26 +
.../mesa_pd/kernel/ExplicitEulerWithShape.py | 30 +
python/mesa_pd/kernel/ForceLJ.py | 26 +
python/mesa_pd/kernel/HeatConduction.py | 26 +
.../kernel/InsertParticleIntoLinkedCells.py | 19 +
python/mesa_pd/kernel/LinearSpringDashpot.py | 26 +
.../mesa_pd/kernel/NonLinearSpringDashpot.py | 26 +
python/mesa_pd/kernel/SingleCast.py | 19 +
python/mesa_pd/kernel/SpringDashpot.py | 30 +
.../mesa_pd/kernel/TemperatureIntegration.py | 25 +
python/mesa_pd/kernel/VelocityVerlet.py | 29 +
.../mesa_pd/kernel/VelocityVerletWithShape.py | 36 +
python/mesa_pd/kernel/__init__.py | 29 +
python/mesa_pd/mpi/BroadcastProperty.py | 7 +
python/mesa_pd/mpi/ClearNextNeighborSync.py | 18 +
python/mesa_pd/mpi/ReduceContactHistory.py | 7 +
python/mesa_pd/mpi/ReduceProperty.py | 7 +
python/mesa_pd/mpi/SyncNextNeighbors.py | 15 +
python/mesa_pd/mpi/__init__.py | 14 +
.../templates/data/ContactHistory.templ.h | 109 +
.../templates/data/LinkedCells.templ.h | 266 +
.../templates/data/ParticleAccessor.templ.h | 126 +
.../templates/data/ParticleStorage.templ.h | 514 ++
.../templates/data/ShapeStorage.templ.h | 114 +
.../templates/kernel/DoubleCast.templ.h | 97 +
.../templates/kernel/ExplicitEuler.templ.h | 87 +
.../kernel/ExplicitEulerWithShape.templ.h | 102 +
.../mesa_pd/templates/kernel/ForceLJ.templ.h | 162 +
.../templates/kernel/HeatConduction.templ.h | 138 +
.../InsertParticleIntoLinkedCells.templ.h | 94 +
.../kernel/LinearSpringDashpot.templ.h | 253 +
.../kernel/NonLinearSpringDashpot.templ.h | 273 +
.../templates/kernel/SingleCast.templ.h | 85 +
.../templates/kernel/SpringDashpot.templ.h | 195 +
.../kernel/TemperatureIntegration.templ.h | 127 +
.../templates/kernel/VelocityVerlet.templ.h | 114 +
.../kernel/VelocityVerletWithShape.templ.h | 137 +
.../templates/mpi/BroadcastProperty.templ.h | 135 +
.../mpi/ClearNextNeighborSync.templ.h | 87 +
.../mpi/ReduceContactHistory.templ.h | 113 +
.../templates/mpi/ReduceProperty.templ.h | 144 +
.../templates/mpi/SyncNextNeighbors.templ.cpp | 267 +
.../templates/mpi/SyncNextNeighbors.templ.h | 79 +
.../ContactHistoryNotification.templ.h | 101 +
.../ForceTorqueNotification.templ.h | 113 +
.../HeatFluxNotification.templ.h | 107 +
.../mpi/notifications/ParseMessage.templ.h | 194 +
.../ParticleCopyNotification.templ.h | 118 +
.../ParticleMigrationNotification.templ.h | 110 +
...articleRemoteMigrationNotification.templ.h | 99 +
.../ParticleRemovalNotification.templ.h | 94 +
.../ParticleUpdateNotification.templ.h | 103 +
.../templates/tests/CheckInterface.templ.cpp | 72 +
python/mesa_pd/utility.py | 44 +
src/core/math/Quaternion.h | 24 +-
src/core/math/Rot3.h | 59 +-
src/core/math/Vector3.h | 2 +-
src/core/timing/TimingPool.cpp | 2 +-
src/mesa_pd/CMakeLists.txt | 8 +
.../AnalyticCollisionFunctions.h | 92 +
.../AnalyticContactDetection.h | 178 +
src/mesa_pd/collision_detection/BroadPhase.h | 45 +
src/mesa_pd/common/AABBConversion.h | 60 +
src/mesa_pd/common/Contains.h | 78 +
src/mesa_pd/common/ParticleFunctions.h | 96 +
src/mesa_pd/common/RayParticleIntersection.h | 152 +
src/mesa_pd/data/ContactHistory.h | 113 +
src/mesa_pd/data/DataTypes.h | 40 +
src/mesa_pd/data/Flags.h | 116 +
src/mesa_pd/data/IAccessor.h | 48 +
src/mesa_pd/data/LinkedCells.h | 359 ++
src/mesa_pd/data/ParticleAccessor.h | 300 ++
src/mesa_pd/data/ParticleStorage.h | 1071 ++++
src/mesa_pd/data/STLOverloads.h | 60 +
src/mesa_pd/data/ShapeStorage.h | 126 +
src/mesa_pd/data/shape/BaseShape.h | 69 +
src/mesa_pd/data/shape/HalfSpace.h | 65 +
src/mesa_pd/data/shape/Sphere.h | 60 +
src/mesa_pd/data/shape/shape_group.dox | 11 +
.../domain/BlockForestDataHandling.cpp | 208 +
src/mesa_pd/domain/BlockForestDataHandling.h | 98 +
src/mesa_pd/domain/BlockForestDomain.cpp | 246 +
src/mesa_pd/domain/BlockForestDomain.h | 139 +
src/mesa_pd/domain/IDomain.h | 74 +
src/mesa_pd/domain/InfiniteDomain.h | 43 +
src/mesa_pd/domain/InfoCollection.h | 119 +
src/mesa_pd/kernel/DoubleCast.h | 102 +
src/mesa_pd/kernel/ExplicitEuler.h | 88 +
src/mesa_pd/kernel/ExplicitEulerWithShape.h | 114 +
src/mesa_pd/kernel/ForceLJ.h | 171 +
src/mesa_pd/kernel/HeatConduction.h | 128 +
.../kernel/InsertParticleIntoLinkedCells.h | 91 +
src/mesa_pd/kernel/LinearSpringDashpot.h | 357 ++
src/mesa_pd/kernel/NonLinearSpringDashpot.h | 377 ++
src/mesa_pd/kernel/ParticleSelector.h | 78 +
src/mesa_pd/kernel/SingleCast.h | 73 +
src/mesa_pd/kernel/SpringDashpot.h | 255 +
src/mesa_pd/kernel/TemperatureIntegration.h | 117 +
src/mesa_pd/kernel/VelocityVerlet.h | 118 +
src/mesa_pd/kernel/VelocityVerletWithShape.h | 155 +
src/mesa_pd/kernel/mesa_pd_kernel.dox | 11 +
src/mesa_pd/mesa_pd_module.dox | 10 +
src/mesa_pd/mpi/BroadcastProperty.h | 135 +
src/mesa_pd/mpi/ClearNextNeighborSync.h | 79 +
src/mesa_pd/mpi/ContactFilter.h | 158 +
src/mesa_pd/mpi/ReduceContactHistory.h | 113 +
src/mesa_pd/mpi/ReduceProperty.h | 144 +
src/mesa_pd/mpi/SyncNextNeighbors.cpp | 267 +
src/mesa_pd/mpi/SyncNextNeighbors.h | 79 +
src/mesa_pd/mpi/mesa_pd_mpi.dox | 11 +
.../ContactHistoryNotification.h | 101 +
.../notifications/ForceTorqueNotification.h | 113 +
.../mpi/notifications/HeatFluxNotification.h | 107 +
.../mpi/notifications/NotificationType.h | 74 +
.../mpi/notifications/PackNotification.h | 38 +
src/mesa_pd/mpi/notifications/ParseMessage.h | 193 +
.../notifications/ParticleCopyNotification.h | 150 +
.../ParticleMigrationNotification.h | 104 +
.../ParticleRemoteMigrationNotification.h | 99 +
.../ParticleRemovalNotification.h | 94 +
.../ParticleUpdateNotification.h | 109 +
src/mesa_pd/vtk/OutputSelector.h | 72 +
src/mesa_pd/vtk/ParticleVtkOutput.cpp | 89 +
src/mesa_pd/vtk/ParticleVtkOutput.h | 76 +
src/mesa_pd/vtk/WriteOutput.h | 73 +
src/pe/ccd/HashGrids.h | 2 +-
src/vtk/BlockCellDataWriter.h | 8 +-
src/vtk/UtilityFunctions.h | 48 +-
src/vtk/VTKTrait.h | 121 +
tests/CMakeLists.txt | 1 +
tests/mesa_pd/CMakeLists.txt | 124 +
tests/mesa_pd/ContactDetection.cpp | 226 +
.../IntegratorWithShapeEvaluation.ipynb | 4544 +++++++++++++++++
.../AnalyticContactDetection.cpp | 192 +
tests/mesa_pd/common/IntersectionRatio.cpp | 201 +
tests/mesa_pd/data/Flags.cpp | 57 +
tests/mesa_pd/data/ParticleStorage.cpp | 87 +
tests/mesa_pd/domain/BlockForestDomain.cpp | 112 +
tests/mesa_pd/domain/BlockForestSync.cpp | 118 +
.../domain/BlockForestSyncPeriodic.cpp | 116 +
tests/mesa_pd/domain/DistanceCalculation.cpp | 81 +
tests/mesa_pd/domain/DynamicRefinement.cpp | 164 +
tests/mesa_pd/domain/SerializeDeserialize.cpp | 169 +
.../mesa_pd/kernel/ClearNextNeighborSync.cpp | 111 +
.../kernel/CoefficientOfRestitutionLSD.cpp | 197 +
.../kernel/CoefficientOfRestitutionNLSD.cpp | 201 +
.../kernel/CoefficientOfRestitutionSD.cpp | 197 +
tests/mesa_pd/kernel/DoubleCast.cpp | 102 +
tests/mesa_pd/kernel/ExplicitEuler.cpp | 116 +
.../mesa_pd/kernel/ExplicitEulerWithShape.cpp | 125 +
tests/mesa_pd/kernel/ForceLJ.cpp | 128 +
.../kernel/GenerateAnalyticContacts.cpp | 176 +
tests/mesa_pd/kernel/GenerateLinkedCells.cpp | 111 +
tests/mesa_pd/kernel/HeatConduction.cpp | 79 +
tests/mesa_pd/kernel/IntegratorAccuracy.cpp | 180 +
tests/mesa_pd/kernel/Interfaces.cpp | 26 +
tests/mesa_pd/kernel/LinearSpringDashpot.cpp | 224 +
.../kernel/LinkedCellsVsBruteForce.cpp | 192 +
tests/mesa_pd/kernel/SingleCast.cpp | 86 +
tests/mesa_pd/kernel/SpringDashpot.cpp | 139 +
tests/mesa_pd/kernel/SyncNextNeighbors.cpp | 145 +
.../mesa_pd/kernel/TemperatureIntegration.cpp | 70 +
tests/mesa_pd/kernel/VelocityVerlet.cpp | 118 +
.../kernel/VelocityVerletWithShape.cpp | 201 +
.../ExplicitEulerInterfaceCheck.cpp | 75 +
.../ExplicitEulerWithShapeInterfaceCheck.cpp | 90 +
.../interfaces/ForceLJInterfaceCheck.cpp | 66 +
.../HeatConductionInterfaceCheck.cpp | 68 +
.../SpringDashpotInterfaceCheck.cpp | 79 +
.../TemperatureIntegrationInterfaceCheck.cpp | 68 +
.../VelocityVerletInterfaceCheck.cpp | 80 +
.../VelocityVerletWithShapeInterfaceCheck.cpp | 99 +
tests/mesa_pd/mpi/BroadcastProperty.cpp | 110 +
tests/mesa_pd/mpi/Notifications.cpp | 68 +
tests/mesa_pd/mpi/ReduceContactHistory.cpp | 182 +
tests/mesa_pd/mpi/ReduceProperty.cpp | 109 +
tests/mesa_pd/vtk/VTKOutputs.cpp | 86 +
207 files changed, 26779 insertions(+), 323 deletions(-)
create mode 100644 apps/benchmarks/GranularGas/CMakeLists.txt
create mode 100755 apps/benchmarks/GranularGas/GenerateModule.py
create mode 100644 apps/benchmarks/GranularGas/GranularGas.cfg
create mode 100644 apps/benchmarks/GranularGas/MESA_PD_GranularGas.cpp
create mode 100644 apps/benchmarks/GranularGas/MESA_PD_KernelBenchmark.cpp
rename apps/benchmarks/{PeriodicGranularGas/PeriodicGranularGas.cfg => GranularGas/PE_Benchmark.cfg} (95%)
rename apps/benchmarks/{PeriodicGranularGas/PeriodicGranularGas.cpp => GranularGas/PE_GranularGas.cpp} (57%)
create mode 100644 apps/benchmarks/GranularGas/upload.py
rename apps/benchmarks/{PeriodicGranularGas => LennardJones}/CMakeLists.txt (56%)
create mode 100644 apps/benchmarks/LennardJones/LennardJones.cpp
delete mode 100644 apps/benchmarks/PeriodicGranularGas/upload.py
create mode 100644 apps/tutorials/mesa_pd/01_LennardJones.cpp
create mode 100644 apps/tutorials/mesa_pd/CMakeLists.txt
create mode 100644 apps/tutorials/mesa_pd/GranularGas.cfg
create mode 100755 python/mesa_pd.py
create mode 100644 python/mesa_pd/Container.py
create mode 100644 python/mesa_pd/Property.py
create mode 100644 python/mesa_pd/__init__.py
create mode 100644 python/mesa_pd/accessor/Accessor.py
create mode 100644 python/mesa_pd/accessor/__init__.py
create mode 100644 python/mesa_pd/data/ContactHistory.py
create mode 100644 python/mesa_pd/data/LinkedCells.py
create mode 100644 python/mesa_pd/data/ParticleStorage.py
create mode 100644 python/mesa_pd/data/ShapeStorage.py
create mode 100644 python/mesa_pd/data/__init__.py
create mode 100644 python/mesa_pd/kernel/DoubleCast.py
create mode 100644 python/mesa_pd/kernel/ExplicitEuler.py
create mode 100644 python/mesa_pd/kernel/ExplicitEulerWithShape.py
create mode 100644 python/mesa_pd/kernel/ForceLJ.py
create mode 100644 python/mesa_pd/kernel/HeatConduction.py
create mode 100644 python/mesa_pd/kernel/InsertParticleIntoLinkedCells.py
create mode 100644 python/mesa_pd/kernel/LinearSpringDashpot.py
create mode 100644 python/mesa_pd/kernel/NonLinearSpringDashpot.py
create mode 100644 python/mesa_pd/kernel/SingleCast.py
create mode 100644 python/mesa_pd/kernel/SpringDashpot.py
create mode 100644 python/mesa_pd/kernel/TemperatureIntegration.py
create mode 100644 python/mesa_pd/kernel/VelocityVerlet.py
create mode 100644 python/mesa_pd/kernel/VelocityVerletWithShape.py
create mode 100644 python/mesa_pd/kernel/__init__.py
create mode 100644 python/mesa_pd/mpi/BroadcastProperty.py
create mode 100644 python/mesa_pd/mpi/ClearNextNeighborSync.py
create mode 100644 python/mesa_pd/mpi/ReduceContactHistory.py
create mode 100644 python/mesa_pd/mpi/ReduceProperty.py
create mode 100644 python/mesa_pd/mpi/SyncNextNeighbors.py
create mode 100644 python/mesa_pd/mpi/__init__.py
create mode 100644 python/mesa_pd/templates/data/ContactHistory.templ.h
create mode 100644 python/mesa_pd/templates/data/LinkedCells.templ.h
create mode 100644 python/mesa_pd/templates/data/ParticleAccessor.templ.h
create mode 100644 python/mesa_pd/templates/data/ParticleStorage.templ.h
create mode 100644 python/mesa_pd/templates/data/ShapeStorage.templ.h
create mode 100644 python/mesa_pd/templates/kernel/DoubleCast.templ.h
create mode 100644 python/mesa_pd/templates/kernel/ExplicitEuler.templ.h
create mode 100644 python/mesa_pd/templates/kernel/ExplicitEulerWithShape.templ.h
create mode 100644 python/mesa_pd/templates/kernel/ForceLJ.templ.h
create mode 100644 python/mesa_pd/templates/kernel/HeatConduction.templ.h
create mode 100644 python/mesa_pd/templates/kernel/InsertParticleIntoLinkedCells.templ.h
create mode 100644 python/mesa_pd/templates/kernel/LinearSpringDashpot.templ.h
create mode 100644 python/mesa_pd/templates/kernel/NonLinearSpringDashpot.templ.h
create mode 100644 python/mesa_pd/templates/kernel/SingleCast.templ.h
create mode 100644 python/mesa_pd/templates/kernel/SpringDashpot.templ.h
create mode 100644 python/mesa_pd/templates/kernel/TemperatureIntegration.templ.h
create mode 100644 python/mesa_pd/templates/kernel/VelocityVerlet.templ.h
create mode 100644 python/mesa_pd/templates/kernel/VelocityVerletWithShape.templ.h
create mode 100644 python/mesa_pd/templates/mpi/BroadcastProperty.templ.h
create mode 100644 python/mesa_pd/templates/mpi/ClearNextNeighborSync.templ.h
create mode 100644 python/mesa_pd/templates/mpi/ReduceContactHistory.templ.h
create mode 100644 python/mesa_pd/templates/mpi/ReduceProperty.templ.h
create mode 100644 python/mesa_pd/templates/mpi/SyncNextNeighbors.templ.cpp
create mode 100644 python/mesa_pd/templates/mpi/SyncNextNeighbors.templ.h
create mode 100644 python/mesa_pd/templates/mpi/notifications/ContactHistoryNotification.templ.h
create mode 100644 python/mesa_pd/templates/mpi/notifications/ForceTorqueNotification.templ.h
create mode 100644 python/mesa_pd/templates/mpi/notifications/HeatFluxNotification.templ.h
create mode 100644 python/mesa_pd/templates/mpi/notifications/ParseMessage.templ.h
create mode 100644 python/mesa_pd/templates/mpi/notifications/ParticleCopyNotification.templ.h
create mode 100644 python/mesa_pd/templates/mpi/notifications/ParticleMigrationNotification.templ.h
create mode 100644 python/mesa_pd/templates/mpi/notifications/ParticleRemoteMigrationNotification.templ.h
create mode 100644 python/mesa_pd/templates/mpi/notifications/ParticleRemovalNotification.templ.h
create mode 100644 python/mesa_pd/templates/mpi/notifications/ParticleUpdateNotification.templ.h
create mode 100644 python/mesa_pd/templates/tests/CheckInterface.templ.cpp
create mode 100644 python/mesa_pd/utility.py
create mode 100644 src/mesa_pd/CMakeLists.txt
create mode 100644 src/mesa_pd/collision_detection/AnalyticCollisionFunctions.h
create mode 100644 src/mesa_pd/collision_detection/AnalyticContactDetection.h
create mode 100644 src/mesa_pd/collision_detection/BroadPhase.h
create mode 100644 src/mesa_pd/common/AABBConversion.h
create mode 100644 src/mesa_pd/common/Contains.h
create mode 100644 src/mesa_pd/common/ParticleFunctions.h
create mode 100644 src/mesa_pd/common/RayParticleIntersection.h
create mode 100644 src/mesa_pd/data/ContactHistory.h
create mode 100644 src/mesa_pd/data/DataTypes.h
create mode 100644 src/mesa_pd/data/Flags.h
create mode 100644 src/mesa_pd/data/IAccessor.h
create mode 100644 src/mesa_pd/data/LinkedCells.h
create mode 100644 src/mesa_pd/data/ParticleAccessor.h
create mode 100644 src/mesa_pd/data/ParticleStorage.h
create mode 100644 src/mesa_pd/data/STLOverloads.h
create mode 100644 src/mesa_pd/data/ShapeStorage.h
create mode 100644 src/mesa_pd/data/shape/BaseShape.h
create mode 100644 src/mesa_pd/data/shape/HalfSpace.h
create mode 100644 src/mesa_pd/data/shape/Sphere.h
create mode 100644 src/mesa_pd/data/shape/shape_group.dox
create mode 100644 src/mesa_pd/domain/BlockForestDataHandling.cpp
create mode 100644 src/mesa_pd/domain/BlockForestDataHandling.h
create mode 100644 src/mesa_pd/domain/BlockForestDomain.cpp
create mode 100644 src/mesa_pd/domain/BlockForestDomain.h
create mode 100644 src/mesa_pd/domain/IDomain.h
create mode 100644 src/mesa_pd/domain/InfiniteDomain.h
create mode 100644 src/mesa_pd/domain/InfoCollection.h
create mode 100644 src/mesa_pd/kernel/DoubleCast.h
create mode 100644 src/mesa_pd/kernel/ExplicitEuler.h
create mode 100644 src/mesa_pd/kernel/ExplicitEulerWithShape.h
create mode 100644 src/mesa_pd/kernel/ForceLJ.h
create mode 100644 src/mesa_pd/kernel/HeatConduction.h
create mode 100644 src/mesa_pd/kernel/InsertParticleIntoLinkedCells.h
create mode 100644 src/mesa_pd/kernel/LinearSpringDashpot.h
create mode 100644 src/mesa_pd/kernel/NonLinearSpringDashpot.h
create mode 100644 src/mesa_pd/kernel/ParticleSelector.h
create mode 100644 src/mesa_pd/kernel/SingleCast.h
create mode 100644 src/mesa_pd/kernel/SpringDashpot.h
create mode 100644 src/mesa_pd/kernel/TemperatureIntegration.h
create mode 100644 src/mesa_pd/kernel/VelocityVerlet.h
create mode 100644 src/mesa_pd/kernel/VelocityVerletWithShape.h
create mode 100644 src/mesa_pd/kernel/mesa_pd_kernel.dox
create mode 100644 src/mesa_pd/mesa_pd_module.dox
create mode 100644 src/mesa_pd/mpi/BroadcastProperty.h
create mode 100644 src/mesa_pd/mpi/ClearNextNeighborSync.h
create mode 100644 src/mesa_pd/mpi/ContactFilter.h
create mode 100644 src/mesa_pd/mpi/ReduceContactHistory.h
create mode 100644 src/mesa_pd/mpi/ReduceProperty.h
create mode 100644 src/mesa_pd/mpi/SyncNextNeighbors.cpp
create mode 100644 src/mesa_pd/mpi/SyncNextNeighbors.h
create mode 100644 src/mesa_pd/mpi/mesa_pd_mpi.dox
create mode 100644 src/mesa_pd/mpi/notifications/ContactHistoryNotification.h
create mode 100644 src/mesa_pd/mpi/notifications/ForceTorqueNotification.h
create mode 100644 src/mesa_pd/mpi/notifications/HeatFluxNotification.h
create mode 100644 src/mesa_pd/mpi/notifications/NotificationType.h
create mode 100644 src/mesa_pd/mpi/notifications/PackNotification.h
create mode 100644 src/mesa_pd/mpi/notifications/ParseMessage.h
create mode 100644 src/mesa_pd/mpi/notifications/ParticleCopyNotification.h
create mode 100644 src/mesa_pd/mpi/notifications/ParticleMigrationNotification.h
create mode 100644 src/mesa_pd/mpi/notifications/ParticleRemoteMigrationNotification.h
create mode 100644 src/mesa_pd/mpi/notifications/ParticleRemovalNotification.h
create mode 100644 src/mesa_pd/mpi/notifications/ParticleUpdateNotification.h
create mode 100644 src/mesa_pd/vtk/OutputSelector.h
create mode 100644 src/mesa_pd/vtk/ParticleVtkOutput.cpp
create mode 100644 src/mesa_pd/vtk/ParticleVtkOutput.h
create mode 100644 src/mesa_pd/vtk/WriteOutput.h
create mode 100644 src/vtk/VTKTrait.h
create mode 100644 tests/mesa_pd/CMakeLists.txt
create mode 100644 tests/mesa_pd/ContactDetection.cpp
create mode 100644 tests/mesa_pd/IntegratorWithShapeEvaluation.ipynb
create mode 100644 tests/mesa_pd/collision_detection/AnalyticContactDetection.cpp
create mode 100644 tests/mesa_pd/common/IntersectionRatio.cpp
create mode 100644 tests/mesa_pd/data/Flags.cpp
create mode 100644 tests/mesa_pd/data/ParticleStorage.cpp
create mode 100644 tests/mesa_pd/domain/BlockForestDomain.cpp
create mode 100644 tests/mesa_pd/domain/BlockForestSync.cpp
create mode 100644 tests/mesa_pd/domain/BlockForestSyncPeriodic.cpp
create mode 100644 tests/mesa_pd/domain/DistanceCalculation.cpp
create mode 100644 tests/mesa_pd/domain/DynamicRefinement.cpp
create mode 100644 tests/mesa_pd/domain/SerializeDeserialize.cpp
create mode 100644 tests/mesa_pd/kernel/ClearNextNeighborSync.cpp
create mode 100644 tests/mesa_pd/kernel/CoefficientOfRestitutionLSD.cpp
create mode 100644 tests/mesa_pd/kernel/CoefficientOfRestitutionNLSD.cpp
create mode 100644 tests/mesa_pd/kernel/CoefficientOfRestitutionSD.cpp
create mode 100644 tests/mesa_pd/kernel/DoubleCast.cpp
create mode 100644 tests/mesa_pd/kernel/ExplicitEuler.cpp
create mode 100644 tests/mesa_pd/kernel/ExplicitEulerWithShape.cpp
create mode 100644 tests/mesa_pd/kernel/ForceLJ.cpp
create mode 100644 tests/mesa_pd/kernel/GenerateAnalyticContacts.cpp
create mode 100644 tests/mesa_pd/kernel/GenerateLinkedCells.cpp
create mode 100644 tests/mesa_pd/kernel/HeatConduction.cpp
create mode 100644 tests/mesa_pd/kernel/IntegratorAccuracy.cpp
create mode 100644 tests/mesa_pd/kernel/Interfaces.cpp
create mode 100644 tests/mesa_pd/kernel/LinearSpringDashpot.cpp
create mode 100644 tests/mesa_pd/kernel/LinkedCellsVsBruteForce.cpp
create mode 100644 tests/mesa_pd/kernel/SingleCast.cpp
create mode 100644 tests/mesa_pd/kernel/SpringDashpot.cpp
create mode 100644 tests/mesa_pd/kernel/SyncNextNeighbors.cpp
create mode 100644 tests/mesa_pd/kernel/TemperatureIntegration.cpp
create mode 100644 tests/mesa_pd/kernel/VelocityVerlet.cpp
create mode 100644 tests/mesa_pd/kernel/VelocityVerletWithShape.cpp
create mode 100644 tests/mesa_pd/kernel/interfaces/ExplicitEulerInterfaceCheck.cpp
create mode 100644 tests/mesa_pd/kernel/interfaces/ExplicitEulerWithShapeInterfaceCheck.cpp
create mode 100644 tests/mesa_pd/kernel/interfaces/ForceLJInterfaceCheck.cpp
create mode 100644 tests/mesa_pd/kernel/interfaces/HeatConductionInterfaceCheck.cpp
create mode 100644 tests/mesa_pd/kernel/interfaces/SpringDashpotInterfaceCheck.cpp
create mode 100644 tests/mesa_pd/kernel/interfaces/TemperatureIntegrationInterfaceCheck.cpp
create mode 100644 tests/mesa_pd/kernel/interfaces/VelocityVerletInterfaceCheck.cpp
create mode 100644 tests/mesa_pd/kernel/interfaces/VelocityVerletWithShapeInterfaceCheck.cpp
create mode 100644 tests/mesa_pd/mpi/BroadcastProperty.cpp
create mode 100644 tests/mesa_pd/mpi/Notifications.cpp
create mode 100644 tests/mesa_pd/mpi/ReduceContactHistory.cpp
create mode 100644 tests/mesa_pd/mpi/ReduceProperty.cpp
create mode 100644 tests/mesa_pd/vtk/VTKOutputs.cpp
diff --git a/.gitlab-ci.yml b/.gitlab-ci.yml
index 347732841..1668b816f 100644
--- a/.gitlab-ci.yml
+++ b/.gitlab-ci.yml
@@ -1752,19 +1752,19 @@ conda-py36-linux:
- cd $CI_PROJECT_DIR/build
- cmake .. -DWALBERLA_BUFFER_DEBUG=OFF -DWALBERLA_BUILD_TESTS=OFF -DWALBERLA_BUILD_BENCHMARKS=ON -DWALBERLA_BUILD_TUTORIALS=OFF -DWALBERLA_BUILD_TOOLS=OFF -DWALBERLA_BUILD_WITH_MPI=ON -DWALBERLA_BUILD_WITH_CUDA=OFF -DWALBERLA_BUILD_WITH_PYTHON=OFF -DWALBERLA_BUILD_WITH_OPENMP=OFF -DCMAKE_BUILD_TYPE=RELEASE -DMPIEXEC_PREFLAGS=$MPIEXEC_PREFLAGS -DWALBERLA_DOUBLE_ACCURACY=ON -DWARNING_ERROR=ON -DWALBERLA_BUILD_WITH_METIS=OFF -DWALBERLA_BUILD_WITH_PARMETIS=OFF -DWALBERLA_OPTIMIZE_FOR_LOCALHOST=ON -DWALBERLA_BUILD_WITH_FASTMATH=ON -DWALBERLA_BUILD_WITH_LTO=ON
- cmake . -LAH
- - cd apps/benchmarks/PeriodicGranularGas
+ - cd apps/benchmarks/GranularGas
- make -j 20
- export PATH=$PATH:/usr/local/likwid/bin
- likwid-setFrequencies -t 0
- likwid-setFrequencies -g performance
- likwid-setFrequencies -f 3.3 # set frequency to 3.3
- - mpirun --allow-run-as-root -np 8 --map-by core --bind-to core --report-bindings ./PeriodicGranularGas PeriodicGranularGas.cfg --DEM --syncNextNeighbor | tee PeriodicGranularGas_DEM_NN.txt
- - mpirun --allow-run-as-root -np 8 --map-by core --bind-to core --report-bindings ./PeriodicGranularGas PeriodicGranularGas.cfg --DEM --syncShadowOwners | tee PeriodicGranularGas_DEM_SO.txt
- - mpirun --allow-run-as-root -np 8 --map-by core --bind-to core --report-bindings ./PeriodicGranularGas PeriodicGranularGas.cfg --HCSITS --syncNextNeighbor --InelasticFrictionlessContact | tee PeriodicGranularGas_HCSITS_NN_IFC.txt
- - mpirun --allow-run-as-root -np 8 --map-by core --bind-to core --report-bindings ./PeriodicGranularGas PeriodicGranularGas.cfg --HCSITS --syncNextNeighbor --ApproximateInelasticCoulombContactByDecoupling | tee PeriodicGranularGas_HCSITS_NN_AICCBD.txt
- - mpirun --allow-run-as-root -np 8 --map-by core --bind-to core --report-bindings ./PeriodicGranularGas PeriodicGranularGas.cfg --HCSITS --syncNextNeighbor --InelasticCoulombContactByDecoupling | tee PeriodicGranularGas_HCSITS_NN_ICCBD.txt
- - mpirun --allow-run-as-root -np 8 --map-by core --bind-to core --report-bindings ./PeriodicGranularGas PeriodicGranularGas.cfg --HCSITS --syncNextNeighbor --InelasticGeneralizedMaximumDissipationContact | tee PeriodicGranularGas_HCSITS_NN_IGMDC.txt
- - mpirun --allow-run-as-root -np 8 --map-by core --bind-to core --report-bindings ./PeriodicGranularGas PeriodicGranularGas.cfg --HCSITS --syncShadowOwners --InelasticFrictionlessContact | tee PeriodicGranularGas_HCSITS_SO_IFC.txt
+ - mpirun --allow-run-as-root -np 8 --map-by core --bind-to core --report-bindings ./PE_GranularGas PE_Benchmark.cfg --DEM --syncNextNeighbor | tee GranularGas_DEM_NN.txt
+ - mpirun --allow-run-as-root -np 8 --map-by core --bind-to core --report-bindings ./PE_GranularGas PE_Benchmark.cfg --DEM --syncShadowOwners | tee GranularGas_DEM_SO.txt
+ - mpirun --allow-run-as-root -np 8 --map-by core --bind-to core --report-bindings ./PE_GranularGas PE_Benchmark.cfg --HCSITS --syncNextNeighbor --InelasticFrictionlessContact | tee GranularGas_HCSITS_NN_IFC.txt
+ - mpirun --allow-run-as-root -np 8 --map-by core --bind-to core --report-bindings ./PE_GranularGas PE_Benchmark.cfg --HCSITS --syncNextNeighbor --ApproximateInelasticCoulombContactByDecoupling | tee GranularGas_HCSITS_NN_AICCBD.txt
+ - mpirun --allow-run-as-root -np 8 --map-by core --bind-to core --report-bindings ./PE_GranularGas PE_Benchmark.cfg --HCSITS --syncNextNeighbor --InelasticCoulombContactByDecoupling | tee GranularGas_HCSITS_NN_ICCBD.txt
+ - mpirun --allow-run-as-root -np 8 --map-by core --bind-to core --report-bindings ./PE_GranularGas PE_Benchmark.cfg --HCSITS --syncNextNeighbor --InelasticGeneralizedMaximumDissipationContact | tee GranularGas_HCSITS_NN_IGMDC.txt
+ - mpirun --allow-run-as-root -np 8 --map-by core --bind-to core --report-bindings ./PE_GranularGas PE_Benchmark.cfg --HCSITS --syncShadowOwners --InelasticFrictionlessContact | tee GranularGas_HCSITS_SO_IFC.txt
- python3 upload.py
only:
variables:
@@ -1773,22 +1773,17 @@ conda-py36-linux:
- docker-benchmark
artifacts:
paths:
- - $CI_PROJECT_DIR/build/apps/benchmarks/PeriodicGranularGas/PeriodicGranularGas_DEM_NN.txt
- - $CI_PROJECT_DIR/build/apps/benchmarks/PeriodicGranularGas/PeriodicGranularGas_DEM_SO.txt
- - $CI_PROJECT_DIR/build/apps/benchmarks/PeriodicGranularGas/PeriodicGranularGas_HCSITS_NN_IFC.txt
- - $CI_PROJECT_DIR/build/apps/benchmarks/PeriodicGranularGas/PeriodicGranularGas_HCSITS_NN_AICCBD.txt
- - $CI_PROJECT_DIR/build/apps/benchmarks/PeriodicGranularGas/PeriodicGranularGas_HCSITS_NN_ICCBD.txt
- - $CI_PROJECT_DIR/build/apps/benchmarks/PeriodicGranularGas/PeriodicGranularGas_HCSITS_NN_IGMDC.txt
- - $CI_PROJECT_DIR/build/apps/benchmarks/PeriodicGranularGas/PeriodicGranularGas_HCSITS_SO_IFC.txt
+ - $CI_PROJECT_DIR/build/apps/benchmarks/GranularGas/*.txt
+ - $CI_PROJECT_DIR/build/apps/benchmarks/GranularGas/benchmark.sqlite
benchmark_intel19:
<<: *benchmark_definition
image: i10git.cs.fau.de:5005/walberla/buildenvs/intel:19
-benchmark_gcc7:
+benchmark_gcc8:
<<: *benchmark_definition
- image: i10git.cs.fau.de:5005/walberla/buildenvs/gcc:7
+ image: i10git.cs.fau.de:5005/walberla/buildenvs/gcc:8
-benchmark_clang7:
+benchmark_clang8:
<<: *benchmark_definition
- image: i10git.cs.fau.de:5005/walberla/buildenvs/clang:7.0
\ No newline at end of file
+ image: i10git.cs.fau.de:5005/walberla/buildenvs/clang:8.0
diff --git a/apps/benchmarks/CMakeLists.txt b/apps/benchmarks/CMakeLists.txt
index d5612a35b..0d3a87aa7 100644
--- a/apps/benchmarks/CMakeLists.txt
+++ b/apps/benchmarks/CMakeLists.txt
@@ -4,9 +4,10 @@ add_subdirectory( DEM )
add_subdirectory( MeshDistance )
add_subdirectory( CouetteFlow )
add_subdirectory( ForcesOnSphereNearPlaneInShearFlow )
+add_subdirectory( GranularGas )
+add_subdirectory( LennardJones )
add_subdirectory( NonUniformGrid )
add_subdirectory( MotionSingleHeavySphere )
-add_subdirectory( PeriodicGranularGas )
add_subdirectory( PoiseuilleChannel )
add_subdirectory( ProbeVsExtraMessage )
add_subdirectory( SchaeferTurek )
diff --git a/apps/benchmarks/GranularGas/CMakeLists.txt b/apps/benchmarks/GranularGas/CMakeLists.txt
new file mode 100644
index 000000000..50ec1c768
--- /dev/null
+++ b/apps/benchmarks/GranularGas/CMakeLists.txt
@@ -0,0 +1,14 @@
+waLBerla_link_files_to_builddir( *.cfg )
+waLBerla_link_files_to_builddir( *.py )
+
+waLBerla_add_executable ( NAME PE_GranularGas
+ FILES PE_GranularGas.cpp
+ DEPENDS blockforest core pe postprocessing )
+
+waLBerla_add_executable ( NAME MESA_PD_GranularGas
+ FILES MESA_PD_GranularGas.cpp
+ DEPENDS blockforest core pe mesa_pd postprocessing vtk )
+
+waLBerla_add_executable ( NAME MESA_PD_KernelBenchmark
+ FILES MESA_PD_KernelBenchmark.cpp
+ DEPENDS blockforest core pe mesa_pd postprocessing vtk )
diff --git a/apps/benchmarks/GranularGas/GenerateModule.py b/apps/benchmarks/GranularGas/GenerateModule.py
new file mode 100755
index 000000000..f068a6d44
--- /dev/null
+++ b/apps/benchmarks/GranularGas/GenerateModule.py
@@ -0,0 +1,89 @@
+#! /usr/bin/env python3
+# -*- coding: utf-8 -*-
+
+from mesa_pd.accessor import Accessor
+import mesa_pd.data as data
+import mesa_pd.kernel as kernel
+import mesa_pd.mpi as mpi
+
+import argparse
+import numpy as np
+import os
+
+if __name__ == '__main__':
+ parser = argparse.ArgumentParser(description='Generate all necessary files for the waLBerla mesa_pd module.')
+ parser.add_argument('path', help='Where should the files be created?')
+ parser.add_argument("-f", "--force", help="Generate the files even if not inside a waLBerla directory.",
+ action="store_true")
+ args = parser.parse_args()
+
+ if ((not os.path.isfile(args.path + "/src/walberla.h")) and (not args.force)):
+ raise RuntimeError(args.path + " is not the path to a waLBerla root directory! Specify -f to generate the files anyway.")
+
+ os.makedirs(args.path + "/src/mesa_pd/common", exist_ok = True)
+ os.makedirs(args.path + "/src/mesa_pd/data", exist_ok = True)
+ os.makedirs(args.path + "/src/mesa_pd/domain", exist_ok = True)
+ os.makedirs(args.path + "/src/mesa_pd/kernel", exist_ok = True)
+ os.makedirs(args.path + "/src/mesa_pd/mpi/notifications", exist_ok = True)
+ os.makedirs(args.path + "/src/mesa_pd/vtk", exist_ok = True)
+
+ shapes = ["Sphere", "HalfSpace"]
+
+ ps = data.ParticleStorage()
+ ch = data.ContactHistory()
+ lc = data.LinkedCells()
+ ss = data.ShapeStorage(ps, shapes)
+
+ ps.addProperty("position", "walberla::mesa_pd::Vec3", defValue="real_t(0)", syncMode="ALWAYS")
+ ps.addProperty("linearVelocity", "walberla::mesa_pd::Vec3", defValue="real_t(0)", syncMode="ALWAYS")
+ ps.addProperty("invMass", "walberla::real_t", defValue="real_t(1)", syncMode="COPY")
+ ps.addProperty("force", "walberla::mesa_pd::Vec3", defValue="real_t(0)", syncMode="NEVER")
+
+ ps.addProperty("shapeID", "size_t", defValue="", syncMode="COPY")
+ ps.addProperty("rotation", "walberla::mesa_pd::Rot3", defValue="", syncMode="ALWAYS")
+ ps.addProperty("angularVelocity", "walberla::mesa_pd::Vec3", defValue="real_t(0)", syncMode="ALWAYS")
+ ps.addProperty("torque", "walberla::mesa_pd::Vec3", defValue="real_t(0)", syncMode="NEVER")
+
+ ps.addProperty("type", "uint_t", defValue="0", syncMode="COPY")
+
+ ps.addProperty("flags", "walberla::mesa_pd::data::particle_flags::FlagT", defValue="", syncMode="COPY")
+ ps.addProperty("nextParticle", "int", defValue="-1", syncMode="NEVER")
+
+ kernels = []
+ kernels.append( kernel.DoubleCast(shapes) )
+ kernels.append( kernel.ExplicitEuler() )
+ kernels.append( kernel.ExplicitEulerWithShape() )
+ kernels.append( kernel.ForceLJ() )
+ kernels.append( kernel.HeatConduction() )
+ kernels.append( kernel.InsertParticleIntoLinkedCells() )
+ kernels.append( kernel.LinearSpringDashpot() )
+ kernels.append( kernel.NonLinearSpringDashpot() )
+ kernels.append( kernel.SingleCast(shapes) )
+ kernels.append( kernel.SpringDashpot() )
+ kernels.append( kernel.TemperatureIntegration() )
+ kernels.append( kernel.VelocityVerlet() )
+ kernels.append( kernel.VelocityVerletWithShape() )
+
+ ac = Accessor()
+ for k in kernels:
+ ac.mergeRequirements(k.getRequirements())
+ ac.printSummary()
+
+ comm = []
+ comm.append(mpi.BroadcastProperty())
+ comm.append(mpi.ClearNextNeighborSync())
+ comm.append(mpi.ReduceContactHistory())
+ comm.append(mpi.ReduceProperty())
+ comm.append(mpi.SyncNextNeighbors(ps))
+
+
+ ps.generate(args.path + "/src/mesa_pd/")
+ ch.generate(args.path + "/src/mesa_pd/")
+ lc.generate(args.path + "/src/mesa_pd/")
+ ss.generate(args.path + "/src/mesa_pd/")
+
+ for k in kernels:
+ k.generate(args.path + "/src/mesa_pd/")
+
+ for c in comm:
+ c.generate(args.path + "/src/mesa_pd/")
diff --git a/apps/benchmarks/GranularGas/GranularGas.cfg b/apps/benchmarks/GranularGas/GranularGas.cfg
new file mode 100644
index 000000000..71f9c2cc2
--- /dev/null
+++ b/apps/benchmarks/GranularGas/GranularGas.cfg
@@ -0,0 +1,21 @@
+GranularGas
+{
+ simulationCorner < 0, 0, 0 >;
+ simulationDomain < 6, 6, 6 >;
+ blocks < 2,2,2 >;
+ isPeriodic < 1, 1, 1 >;
+
+ radius 0.6;
+ spacing 1.0;
+ vMax 0.0;
+
+ dt 0.0001;
+ simulationSteps 500;
+ visSpacing 100;
+
+ HCSITSmaxIterations 10;
+ HCSITSRelaxationParameter 0.7;
+ HCSITSErrorReductionParameter 0.8;
+ HCSITSRelaxationModelStr ApproximateInelasticCoulombContactByDecoupling;
+ globalLinearAcceleration < 0, 0, 0 >;
+}
diff --git a/apps/benchmarks/GranularGas/MESA_PD_GranularGas.cpp b/apps/benchmarks/GranularGas/MESA_PD_GranularGas.cpp
new file mode 100644
index 000000000..09c6d7549
--- /dev/null
+++ b/apps/benchmarks/GranularGas/MESA_PD_GranularGas.cpp
@@ -0,0 +1,487 @@
+//======================================================================================================================
+//
+// This file is part of waLBerla. waLBerla is free software: you can
+// redistribute it and/or modify it under the terms of the GNU General Public
+// License as published by the Free Software Foundation, either version 3 of
+// the License, or (at your option) any later version.
+//
+// waLBerla is distributed in the hope that it will be useful, but WITHOUT
+// ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
+// FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License
+// for more details.
+//
+// You should have received a copy of the GNU General Public License along
+// with waLBerla (see COPYING.txt). If not, see <http://www.gnu.org/licenses/>.
+//
+//! \file MESA_PD_GranularGas.cpp
+//! \author Sebastian Eibl <sebastian.eibl@fau.de>
+//
+//======================================================================================================================
+
+#include <mesa_pd/vtk/ParticleVtkOutput.h>
+
+#include <mesa_pd/collision_detection/AnalyticContactDetection.h>
+#include <mesa_pd/data/LinkedCells.h>
+#include <mesa_pd/data/ParticleAccessor.h>
+#include <mesa_pd/data/ParticleStorage.h>
+#include <mesa_pd/data/ShapeStorage.h>
+#include <mesa_pd/domain/BlockForestDomain.h>
+#include <mesa_pd/kernel/DoubleCast.h>
+#include <mesa_pd/kernel/ExplicitEulerWithShape.h>
+#include <mesa_pd/kernel/InsertParticleIntoLinkedCells.h>
+#include <mesa_pd/kernel/ParticleSelector.h>
+#include <mesa_pd/kernel/SpringDashpot.h>
+#include <mesa_pd/mpi/ContactFilter.h>
+#include <mesa_pd/mpi/ReduceProperty.h>
+#include <mesa_pd/mpi/SyncNextNeighbors.h>
+
+#include <mesa_pd/mpi/notifications/ForceTorqueNotification.h>
+
+#include <blockforest/BlockForest.h>
+#include <blockforest/Initialization.h>
+#include <core/Abort.h>
+#include <core/Environment.h>
+#include <core/math/Random.h>
+#include <core/mpi/Reduce.h>
+#include <core/grid_generator/SCIterator.h>
+#include <core/logging/Logging.h>
+#include <core/OpenMP.h>
+#include <core/timing/Timer.h>
+#include <core/timing/TimingPool.h>
+#include <core/waLBerlaBuildInfo.h>
+#include <postprocessing/sqlite/SQLite.h>
+#include <vtk/VTKOutput.h>
+
+#include <functional>
+#include <memory>
+#include <string>
+#include <type_traits>
+
+namespace walberla {
+namespace mesa_pd {
+
+class SelectRank
+{
+public:
+ using return_type = int;
+ int operator()(const data::Particle& /*p*/) const { return rank_; }
+ int operator()(const data::Particle&& /*p*/) const { return rank_; }
+private:
+ int rank_ = walberla::mpi::MPIManager::instance()->rank();
+};
+
+
+class ParticleAccessorWithShape : public data::ParticleAccessor
+{
+public:
+ ParticleAccessorWithShape(std::shared_ptr<data::ParticleStorage>& ps, std::shared_ptr<data::ShapeStorage>& ss)
+ : ParticleAccessor(ps)
+ , ss_(ss)
+ {}
+
+ const walberla::real_t& getInvMass(const size_t p_idx) const {return ss_->shapes[ps_->getShapeIDRef(p_idx)]->getInvMass();}
+ walberla::real_t& getInvMassRef(const size_t p_idx) {return ss_->shapes[ps_->getShapeIDRef(p_idx)]->getInvMass();}
+ void setInvMass(const size_t p_idx, const walberla::real_t& v) { ss_->shapes[ps_->getShapeIDRef(p_idx)]->getInvMass() = v;}
+
+ const auto& getInvInertiaBF(const size_t p_idx) const {return ss_->shapes[ps_->getShapeIDRef(p_idx)]->getInvInertiaBF();}
+ auto& getInvInertiaBFRef(const size_t p_idx) {return ss_->shapes[ps_->getShapeIDRef(p_idx)]->getInvInertiaBF();}
+ void setInvInertiaBF(const size_t p_idx, const Mat3& v) { ss_->shapes[ps_->getShapeIDRef(p_idx)]->getInvInertiaBF() = v;}
+
+ data::BaseShape* getShape(const size_t p_idx) const {return ss_->shapes[ps_->getShapeIDRef(p_idx)].get();}
+private:
+ std::shared_ptr<data::ShapeStorage> ss_;
+};
+
+void createPlane( data::ParticleStorage& ps,
+ data::ShapeStorage& ss,
+ const Vec3& pos,
+ const Vec3& normal )
+{
+ auto p0 = ps.create(true);
+ p0->getPositionRef() = pos;
+ p0->getShapeIDRef() = ss.create<data::HalfSpace>( normal );
+ p0->getOwnerRef() = walberla::mpi::MPIManager::instance()->rank();
+ p0->getTypeRef() = 0;
+ data::particle_flags::set(p0->getFlagsRef(), data::particle_flags::INFINITE);
+ data::particle_flags::set(p0->getFlagsRef(), data::particle_flags::FIXED);
+ data::particle_flags::set(p0->getFlagsRef(), data::particle_flags::NON_COMMUNICATING);
+}
+
+std::string envToString(const char* env)
+{
+ return env != nullptr ? std::string(env) : "";
+}
+
+int main( int argc, char ** argv )
+{
+ using namespace walberla::timing;
+
+ Environment env(argc, argv);
+ auto mpiManager = walberla::mpi::MPIManager::instance();
+ mpiManager->useWorldComm();
+
+ logging::Logging::instance()->setStreamLogLevel(logging::Logging::INFO);
+ logging::Logging::instance()->setFileLogLevel(logging::Logging::INFO);
+
+ WALBERLA_LOG_INFO_ON_ROOT( "config file: " << argv[1] );
+ WALBERLA_LOG_INFO_ON_ROOT( "waLBerla Revision: " << WALBERLA_GIT_SHA1 );
+
+ math::seedRandomGenerator( static_cast<unsigned int>(1337 * mpiManager->worldRank()) );
+
+ WALBERLA_LOG_INFO_ON_ROOT("*** READING CONFIG FILE ***");
+ auto cfg = env.config();
+ if (cfg == nullptr) WALBERLA_ABORT("No config specified!");
+ const Config::BlockHandle mainConf = cfg->getBlock( "GranularGas" );
+
+ const std::string host = mainConf.getParameter<std::string>("host", "none" );
+ WALBERLA_LOG_INFO_ON_ROOT("host: " << host);
+
+ const int jobid = mainConf.getParameter<int>("jobid", 0 );
+ WALBERLA_LOG_INFO_ON_ROOT("jobid: " << jobid);
+
+ const real_t spacing = mainConf.getParameter<real_t>("spacing", real_t(1.0) );
+ WALBERLA_LOG_INFO_ON_ROOT("spacing: " << spacing);
+
+ const real_t radius = mainConf.getParameter<real_t>("radius", real_t(0.5) );
+ WALBERLA_LOG_INFO_ON_ROOT("radius: " << radius);
+
+ bool bBarrier = mainConf.getParameter<bool>("bBarrier", false );
+ WALBERLA_LOG_INFO_ON_ROOT("bBarrier: " << bBarrier);
+
+ int64_t numOuterIterations = mainConf.getParameter<int64_t>("numOuterIterations", 10 );
+ WALBERLA_LOG_INFO_ON_ROOT("numOuterIterations: " << numOuterIterations);
+
+ int64_t simulationSteps = mainConf.getParameter<int64_t>("simulationSteps", 10 );
+ WALBERLA_LOG_INFO_ON_ROOT("simulationSteps: " << simulationSteps);
+
+ real_t dt = mainConf.getParameter<real_t>("dt", real_c(0.01) );
+ WALBERLA_LOG_INFO_ON_ROOT("dt: " << dt);
+
+ const int visSpacing = mainConf.getParameter<int>("visSpacing", 1000 );
+ WALBERLA_LOG_INFO_ON_ROOT("visSpacing: " << visSpacing);
+ const std::string path = mainConf.getParameter<std::string>("path", "vtk_out" );
+ WALBERLA_LOG_INFO_ON_ROOT("path: " << path);
+
+ const std::string sqlFile = mainConf.getParameter<std::string>("sqlFile", "benchmark.sqlite" );
+ WALBERLA_LOG_INFO_ON_ROOT("sqlFile: " << sqlFile);
+
+ WALBERLA_LOG_INFO_ON_ROOT("*** BLOCKFOREST ***");
+ // create forest
+ auto forest = blockforest::createBlockForestFromConfig( mainConf );
+ if (!forest)
+ {
+ WALBERLA_LOG_INFO_ON_ROOT( "No BlockForest created ... exiting!");
+ return EXIT_SUCCESS;
+ }
+ domain::BlockForestDomain domain(forest);
+
+ auto simulationDomain = forest->getDomain();
+ auto localDomain = forest->begin()->getAABB();
+ for (auto& blk : *forest)
+ {
+ localDomain.merge(blk.getAABB());
+ }
+
+ WALBERLA_LOG_INFO_ON_ROOT("*** SETUP - START ***");
+
+ //init data structures
+ auto ps = std::make_shared<data::ParticleStorage>(100);
+ auto ss = std::make_shared<data::ShapeStorage>();
+ ParticleAccessorWithShape accessor(ps, ss);
+ data::LinkedCells lc(localDomain.getExtended(spacing), spacing );
+
+ auto smallSphere = ss->create<data::Sphere>( radius );
+ ss->shapes[smallSphere]->updateMassAndInertia(real_t(2707));
+ for (auto& iBlk : *forest)
+ {
+ for (auto pt : grid_generator::SCGrid(iBlk.getAABB(), Vector3<real_t>(spacing, spacing, spacing) * real_c(0.5), spacing))
+ {
+ WALBERLA_CHECK(iBlk.getAABB().contains(pt));
+
+ auto p = ps->create();
+ p->getPositionRef() = pt;
+ p->getInteractionRadiusRef() = radius;
+ p->getShapeIDRef() = smallSphere;
+ p->getOwnerRef() = mpiManager->rank();
+ p->getTypeRef() = 0;
+ }
+ }
+ int64_t numParticles = int64_c(ps->size());
+ walberla::mpi::reduceInplace(numParticles, walberla::mpi::SUM);
+ WALBERLA_LOG_INFO_ON_ROOT("#particles created: " << numParticles);
+
+ auto shift = (spacing - radius - radius) * real_t(0.5);
+ auto confiningDomain = simulationDomain.getExtended(shift);
+
+ if (!forest->isPeriodic(0))
+ {
+ createPlane(*ps, *ss, confiningDomain.minCorner(), Vec3(+1,0,0));
+ createPlane(*ps, *ss, confiningDomain.maxCorner(), Vec3(-1,0,0));
+ }
+
+ if (!forest->isPeriodic(1))
+ {
+ createPlane(*ps, *ss, confiningDomain.minCorner(), Vec3(0,+1,0));
+ createPlane(*ps, *ss, confiningDomain.maxCorner(), Vec3(0,-1,0));
+ }
+
+ if (!forest->isPeriodic(2))
+ {
+ createPlane(*ps, *ss, confiningDomain.minCorner(), Vec3(0,0,+1));
+ createPlane(*ps, *ss, confiningDomain.maxCorner(), Vec3(0,0,-1));
+ }
+
+ WALBERLA_LOG_INFO_ON_ROOT("*** SETUP - END ***");
+
+ WALBERLA_LOG_INFO_ON_ROOT("*** VTK ***");
+ auto vtkDomainOutput = walberla::vtk::createVTKOutput_DomainDecomposition( forest, "domain_decomposition", 1, "vtk_out", "simulation_step" );
+ auto vtkOutput = make_shared<mesa_pd::vtk::ParticleVtkOutput>(ps) ;
+ auto vtkWriter = walberla::vtk::createVTKOutput_PointData(vtkOutput, "Bodies", 1, "vtk", "simulation_step", false, false);
+ vtkOutput->addOutput<SelectRank>("rank");
+ vtkOutput->addOutput<data::SelectParticleOwner>("owner");
+ // vtkDomainOutput->write();
+
+ WALBERLA_LOG_INFO_ON_ROOT("*** SIMULATION - START ***");
+ // Init kernels
+ kernel::ExplicitEulerWithShape explicitEulerWithShape( dt );
+ kernel::InsertParticleIntoLinkedCells ipilc;
+ kernel::SpringDashpot dem(1);
+ dem.setStiffness(0, 0, real_t(0));
+ dem.setDampingN (0, 0, real_t(0));
+ dem.setDampingT (0, 0, real_t(0));
+ dem.setFriction (0, 0, real_t(0));
+ collision_detection::AnalyticContactDetection acd;
+ kernel::DoubleCast double_cast;
+ mpi::ContactFilter contact_filter;
+ mpi::ReduceProperty RP;
+ mpi::SyncNextNeighbors SNN;
+
+ // initial sync
+ SNN(*ps, domain);
+
+ for (int64_t outerIteration = 0; outerIteration < numOuterIterations; ++outerIteration)
+ {
+ WALBERLA_LOG_INFO_ON_ROOT("*** RUNNING OUTER ITERATION " << outerIteration << " ***");
+
+ WcTimer timer;
+ WcTimingPool tp;
+ auto SNNBytesSent = SNN.getBytesSent();
+ auto SNNBytesReceived = SNN.getBytesReceived();
+ auto SNNSends = SNN.getNumberOfSends();
+ auto SNNReceives = SNN.getNumberOfReceives();
+ auto RPBytesSent = RP.getBytesSent();
+ auto RPBytesReceived = RP.getBytesReceived();
+ auto RPSends = RP.getNumberOfSends();
+ auto RPReceives = RP.getNumberOfReceives();
+ int64_t contactsChecked = 0;
+ int64_t contactsDetected = 0;
+ int64_t contactsTreated = 0;
+ if (bBarrier) WALBERLA_MPI_BARRIER();
+ for (int64_t i=0; i < simulationSteps; ++i)
+ {
+ // if (i % visSpacing == 0)
+ // {
+ // vtkWriter->write();
+ // }
+
+ tp["GenerateLinkedCells"].start();
+ lc.clear();
+ ps->forEachParticle(true, kernel::SelectAll(), accessor, ipilc, accessor, lc);
+ if (bBarrier) WALBERLA_MPI_BARRIER();
+ tp["GenerateLinkedCells"].end();
+
+ tp["DEM"].start();
+ contactsChecked = 0;
+ contactsDetected = 0;
+ contactsTreated = 0;
+ lc.forEachParticlePairHalf(true,
+ kernel::SelectAll(),
+ accessor,
+ [&](const size_t idx1, const size_t idx2, auto& ac)
+ {
+ ++contactsChecked;
+ if (double_cast(idx1, idx2, ac, acd, ac ))
+ {
+ ++contactsDetected;
+ if (contact_filter(acd.getIdx1(), acd.getIdx2(), ac, acd.getContactPoint(), domain))
+ {
+ ++contactsTreated;
+ dem(acd.getIdx1(), acd.getIdx2(), ac, acd.getContactPoint(), acd.getContactNormal(), acd.getPenetrationDepth());
+ }
+ }
+ },
+ accessor );
+ if (bBarrier) WALBERLA_MPI_BARRIER();
+ tp["DEM"].end();
+
+ tp["ReduceForce"].start();
+ RP.operator()<ForceTorqueNotification>(*ps);
+ if (bBarrier) WALBERLA_MPI_BARRIER();
+ tp["ReduceForce"].end();
+
+ tp["Euler"].start();
+ //ps->forEachParticle(false, [&](const size_t idx){WALBERLA_CHECK_EQUAL(ps->getForce(idx), Vec3(0,0,0), *(*ps)[idx] << "\n" << idx);});
+ ps->forEachParticle(true, kernel::SelectLocal(), accessor, explicitEulerWithShape, accessor);
+ if (bBarrier) WALBERLA_MPI_BARRIER();
+ tp["Euler"].end();
+
+ tp["SNN"].start();
+ SNN(*ps, domain);
+ if (bBarrier) WALBERLA_MPI_BARRIER();
+ tp["SNN"].end();
+
+ if( i % 100 == 0 )
+ {
+ WALBERLA_LOG_DEVEL_ON_ROOT( "Timestep " << i << " / " << simulationSteps );
+ SNNBytesSent = SNN.getBytesSent();
+ SNNBytesReceived = SNN.getBytesReceived();
+ SNNSends = SNN.getNumberOfSends();
+ SNNReceives = SNN.getNumberOfReceives();
+ RPBytesSent = RP.getBytesSent();
+ RPBytesReceived = RP.getBytesReceived();
+ RPSends = RP.getNumberOfSends();
+ RPReceives = RP.getNumberOfReceives();
+ walberla::mpi::reduceInplace(SNNBytesSent, walberla::mpi::SUM);
+ walberla::mpi::reduceInplace(SNNBytesReceived, walberla::mpi::SUM);
+ walberla::mpi::reduceInplace(SNNSends, walberla::mpi::SUM);
+ walberla::mpi::reduceInplace(SNNReceives, walberla::mpi::SUM);
+ walberla::mpi::reduceInplace(RPBytesSent, walberla::mpi::SUM);
+ walberla::mpi::reduceInplace(RPBytesReceived, walberla::mpi::SUM);
+ walberla::mpi::reduceInplace(RPSends, walberla::mpi::SUM);
+ walberla::mpi::reduceInplace(RPReceives, walberla::mpi::SUM);
+ auto cC = walberla::mpi::reduce(contactsChecked, walberla::mpi::SUM);
+ auto cD = walberla::mpi::reduce(contactsDetected, walberla::mpi::SUM);
+ auto cT = walberla::mpi::reduce(contactsTreated, walberla::mpi::SUM);
+ WALBERLA_LOG_DEVEL_ON_ROOT( "SNN bytes communicated: " << SNNBytesSent << " / " << SNNBytesReceived );
+ WALBERLA_LOG_DEVEL_ON_ROOT( "SNN communication partners: " << SNNSends << " / " << SNNReceives );
+ WALBERLA_LOG_DEVEL_ON_ROOT( "RP bytes communicated: " << RPBytesSent << " / " << RPBytesReceived );
+ WALBERLA_LOG_DEVEL_ON_ROOT( "RP communication partners: " << RPSends << " / " << RPReceives );
+ WALBERLA_LOG_DEVEL_ON_ROOT( "contacts checked/detected/treated: " << cC << " / " << cD << " / " << cT );
+ if (bBarrier) WALBERLA_MPI_BARRIER();
+ }
+ }
+ timer.end();
+ auto tp_reduced = tp.getReduced();
+ WALBERLA_LOG_INFO_ON_ROOT(*tp_reduced);
+ WALBERLA_LOG_INFO_ON_ROOT("runtime: " << timer.average());
+ auto PUpS = real_c(numParticles) * real_c(simulationSteps) / timer.average();
+ WALBERLA_LOG_INFO_ON_ROOT("PUpS: " << PUpS);
+ WALBERLA_LOG_INFO_ON_ROOT("*** SIMULATION - END ***");
+
+ WALBERLA_LOG_INFO_ON_ROOT("*** CHECKING RESULT - START ***");
+ auto pIt = ps->begin();
+ for (auto& iBlk : *forest)
+ {
+ for (auto it = grid_generator::SCIterator(iBlk.getAABB(), Vector3<real_t>(spacing, spacing, spacing) * real_c(0.5), spacing);
+ it != grid_generator::SCIterator();
+ ++it, ++pIt)
+ {
+ WALBERLA_CHECK_UNEQUAL(pIt, ps->end());
+ WALBERLA_CHECK_FLOAT_EQUAL((*pIt).getPositionRef(), *it);
+ }
+ }
+ WALBERLA_LOG_INFO_ON_ROOT("*** CHECKING RESULT - END ***");
+
+ WALBERLA_LOG_INFO_ON_ROOT("*** SQL OUTPUT - START ***");
+ numParticles = 0;
+ int64_t numGhostParticles = 0;
+ ps->forEachParticle(false,
+ kernel::SelectAll(),
+ accessor,
+ [&numParticles, &numGhostParticles](const size_t idx, auto& ac)
+ {
+ if (data::particle_flags::isSet( ac.getFlagsRef(idx), data::particle_flags::GHOST))
+ {
+ ++numGhostParticles;
+ } else
+ {
+ ++numParticles;
+ }
+ },
+ accessor);
+ walberla::mpi::reduceInplace(numParticles, walberla::mpi::SUM);
+ walberla::mpi::reduceInplace(numGhostParticles, walberla::mpi::SUM);
+ walberla::mpi::reduceInplace(contactsChecked, walberla::mpi::SUM);
+ walberla::mpi::reduceInplace(contactsDetected, walberla::mpi::SUM);
+ walberla::mpi::reduceInplace(contactsTreated, walberla::mpi::SUM);
+ double linkedCellsVolume = lc.domain_.volume();
+ walberla::mpi::reduceInplace(linkedCellsVolume, walberla::mpi::SUM);
+ size_t numLinkedCells = lc.cells_.size();
+ walberla::mpi::reduceInplace(numLinkedCells, walberla::mpi::SUM);
+ size_t local_aabbs = domain.getNumLocalAABBs();
+ size_t neighbor_subdomains = domain.getNumNeighborSubdomains();
+ size_t neighbor_processes = domain.getNumNeighborProcesses();
+ walberla::mpi::reduceInplace(local_aabbs, walberla::mpi::SUM);
+ walberla::mpi::reduceInplace(neighbor_subdomains, walberla::mpi::SUM);
+ walberla::mpi::reduceInplace(neighbor_processes, walberla::mpi::SUM);
+ WALBERLA_ROOT_SECTION()
+ {
+ std::map< std::string, walberla::int64_t > integerProperties;
+ std::map< std::string, double > realProperties;
+ std::map< std::string, std::string > stringProperties;
+
+ stringProperties["walberla_git"] = WALBERLA_GIT_SHA1;
+ stringProperties["tag"] = "mesa_pd";
+ stringProperties["host"] = host;
+ integerProperties["jobid"] = jobid;
+ integerProperties["mpi_num_processes"] = mpiManager->numProcesses();
+ integerProperties["omp_max_threads"] = omp_get_max_threads();
+ integerProperties["numOuterIterations"] = numOuterIterations;
+ integerProperties["simulationSteps"] = simulationSteps;
+ integerProperties["bBarrier"] = int64_c(bBarrier);
+ realProperties["PUpS"] = double_c(PUpS);
+ integerProperties["num_particles"] = numParticles;
+ integerProperties["num_ghost_particles"] = numGhostParticles;
+ integerProperties["contacts_checked"] = contactsChecked;
+ integerProperties["contacts_detected"] = contactsDetected;
+ integerProperties["contacts_treated"] = contactsTreated;
+ integerProperties["blocks_x"] = int64_c(forest->getXSize());
+ integerProperties["blocks_y"] = int64_c(forest->getXSize());
+ integerProperties["blocks_z"] = int64_c(forest->getXSize());
+ realProperties["domain_x"] = double_c(forest->getDomain().xSize());
+ realProperties["domain_y"] = double_c(forest->getDomain().ySize());
+ realProperties["domain_z"] = double_c(forest->getDomain().zSize());
+ integerProperties["local_aabbs"] = int64_c(local_aabbs);
+ integerProperties["neighbor_subdomains"] = int64_c(neighbor_subdomains);
+ integerProperties["neighbor_processes"] = int64_c(neighbor_processes);
+ integerProperties["SNNBytesSent"] = SNNBytesSent;
+ integerProperties["SNNBytesReceived"] = SNNBytesReceived;
+ integerProperties["SNNSends"] = SNNSends;
+ integerProperties["SNNReceives"] = SNNReceives;
+ integerProperties["RPBytesSent"] = RPBytesSent;
+ integerProperties["RPBytesReceived"] = RPBytesReceived;
+ integerProperties["RPSends"] = RPSends;
+ integerProperties["RPReceives"] = RPReceives;
+ realProperties["linkedCellsVolume"] = linkedCellsVolume;
+ integerProperties["numLinkedCells"] = int64_c(numLinkedCells);
+ stringProperties["SLURM_CLUSTER_NAME"] = envToString(std::getenv( "SLURM_CLUSTER_NAME" ));
+ stringProperties["SLURM_CPUS_ON_NODE"] = envToString(std::getenv( "SLURM_CPUS_ON_NODE" ));
+ stringProperties["SLURM_CPUS_PER_TASK"] = envToString(std::getenv( "SLURM_CPUS_PER_TASK" ));
+ stringProperties["SLURM_JOB_ACCOUNT"] = envToString(std::getenv( "SLURM_JOB_ACCOUNT" ));
+ stringProperties["SLURM_JOB_ID"] = envToString(std::getenv( "SLURM_JOB_ID" ));
+ stringProperties["SLURM_JOB_CPUS_PER_NODE"] = envToString(std::getenv( "SLURM_JOB_CPUS_PER_NODE" ));
+ stringProperties["SLURM_JOB_NAME"] = envToString(std::getenv( "SLURM_JOB_NAME" ));
+ stringProperties["SLURM_JOB_NUM_NODES"] = envToString(std::getenv( "SLURM_JOB_NUM_NODES" ));
+ stringProperties["SLURM_NTASKS"] = envToString(std::getenv( "SLURM_NTASKS" ));
+ stringProperties["SLURM_NTASKS_PER_CORE"] = envToString(std::getenv( "SLURM_NTASKS_PER_CORE" ));
+ stringProperties["SLURM_NTASKS_PER_NODE"] = envToString(std::getenv( "SLURM_NTASKS_PER_NODE" ));
+ stringProperties["SLURM_NTASKS_PER_SOCKET"] = envToString(std::getenv( "SLURM_NTASKS_PER_SOCKET" ));
+ stringProperties["SLURM_TASKS_PER_NODE"] = envToString(std::getenv( "SLURM_TASKS_PER_NODE" ));
+
+
+ auto runId = postprocessing::storeRunInSqliteDB( sqlFile, integerProperties, stringProperties, realProperties );
+ postprocessing::storeTimingPoolInSqliteDB( sqlFile, runId, *tp_reduced, "Timeloop" );
+ }
+ WALBERLA_LOG_INFO_ON_ROOT("*** SQL OUTPUT - END ***");
+ }
+
+ return EXIT_SUCCESS;
+}
+
+} // namespace mesa_pd
+} // namespace walberla
+
+int main( int argc, char* argv[] )
+{
+ return walberla::mesa_pd::main( argc, argv );
+}
diff --git a/apps/benchmarks/GranularGas/MESA_PD_KernelBenchmark.cpp b/apps/benchmarks/GranularGas/MESA_PD_KernelBenchmark.cpp
new file mode 100644
index 000000000..ea71d2890
--- /dev/null
+++ b/apps/benchmarks/GranularGas/MESA_PD_KernelBenchmark.cpp
@@ -0,0 +1,510 @@
+//======================================================================================================================
+//
+// This file is part of waLBerla. waLBerla is free software: you can
+// redistribute it and/or modify it under the terms of the GNU General Public
+// License as published by the Free Software Foundation, either version 3 of
+// the License, or (at your option) any later version.
+//
+// waLBerla is distributed in the hope that it will be useful, but WITHOUT
+// ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
+// FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License
+// for more details.
+//
+// You should have received a copy of the GNU General Public License along
+// with waLBerla (see COPYING.txt). If not, see <http://www.gnu.org/licenses/>.
+//
+//! \file MESA_PD_KernelBenchmark.cpp
+//! \author Sebastian Eibl <sebastian.eibl@fau.de>
+//
+//======================================================================================================================
+
+#include <mesa_pd/vtk/ParticleVtkOutput.h>
+
+#include <mesa_pd/collision_detection/AnalyticContactDetection.h>
+#include <mesa_pd/data/LinkedCells.h>
+#include <mesa_pd/data/ParticleAccessor.h>
+#include <mesa_pd/data/ParticleStorage.h>
+#include <mesa_pd/data/ShapeStorage.h>
+#include <mesa_pd/domain/BlockForestDomain.h>
+#include <mesa_pd/kernel/DoubleCast.h>
+#include <mesa_pd/kernel/ExplicitEulerWithShape.h>
+#include <mesa_pd/kernel/InsertParticleIntoLinkedCells.h>
+#include <mesa_pd/kernel/ParticleSelector.h>
+#include <mesa_pd/kernel/SpringDashpot.h>
+#include <mesa_pd/mpi/ContactFilter.h>
+#include <mesa_pd/mpi/ReduceProperty.h>
+#include <mesa_pd/mpi/SyncNextNeighbors.h>
+
+#include <mesa_pd/mpi/notifications/ForceTorqueNotification.h>
+
+#include <blockforest/BlockForest.h>
+#include <blockforest/Initialization.h>
+#include <core/Abort.h>
+#include <core/Environment.h>
+#include <core/math/Random.h>
+#include <core/mpi/Reduce.h>
+#include <core/grid_generator/SCIterator.h>
+#include <core/logging/Logging.h>
+#include <core/OpenMP.h>
+#include <core/timing/Timer.h>
+#include <core/timing/TimingPool.h>
+#include <core/waLBerlaBuildInfo.h>
+#include <postprocessing/sqlite/SQLite.h>
+#include <vtk/VTKOutput.h>
+
+#include <functional>
+#include <memory>
+#include <string>
+#include <type_traits>
+
+namespace walberla {
+namespace mesa_pd {
+
+class SelectRank
+{
+public:
+ using return_type = int;
+ int operator()(const data::Particle& /*p*/) const { return rank_; }
+ int operator()(const data::Particle&& /*p*/) const { return rank_; }
+private:
+ int rank_ = walberla::mpi::MPIManager::instance()->rank();
+};
+
+struct Contact
+{
+ Contact(const size_t idx1,
+ const size_t idx2,
+ const Vec3 contactPoint,
+ const Vec3 contactNormal,
+ const real_t penetrationDepth)
+ : idx1_(idx1)
+ , idx2_(idx2)
+ , contactPoint_(contactPoint)
+ , contactNormal_(contactNormal)
+ , penetrationDepth_(penetrationDepth) {}
+
+ size_t idx1_;
+ size_t idx2_;
+ Vec3 contactPoint_;
+ Vec3 contactNormal_;
+ real_t penetrationDepth_;
+};
+
+
+class ParticleAccessorWithShape : public data::ParticleAccessor
+{
+public:
+ ParticleAccessorWithShape(std::shared_ptr<data::ParticleStorage>& ps, std::shared_ptr<data::ShapeStorage>& ss)
+ : ParticleAccessor(ps)
+ , ss_(ss)
+ {}
+
+ const walberla::real_t& getInvMass(const size_t p_idx) const {return ss_->shapes[ps_->getShapeIDRef(p_idx)]->getInvMass();}
+ walberla::real_t& getInvMassRef(const size_t p_idx) {return ss_->shapes[ps_->getShapeIDRef(p_idx)]->getInvMass();}
+ void setInvMass(const size_t p_idx, const walberla::real_t& v) { ss_->shapes[ps_->getShapeIDRef(p_idx)]->getInvMass() = v;}
+
+ const auto& getInvInertiaBF(const size_t p_idx) const {return ss_->shapes[ps_->getShapeIDRef(p_idx)]->getInvInertiaBF();}
+ auto& getInvInertiaBFRef(const size_t p_idx) {return ss_->shapes[ps_->getShapeIDRef(p_idx)]->getInvInertiaBF();}
+ void setInvInertiaBF(const size_t p_idx, const Mat3& v) { ss_->shapes[ps_->getShapeIDRef(p_idx)]->getInvInertiaBF() = v;}
+
+ data::BaseShape* getShape(const size_t p_idx) const {return ss_->shapes[ps_->getShapeIDRef(p_idx)].get();}
+private:
+ std::shared_ptr<data::ShapeStorage> ss_;
+};
+
+void createPlane( data::ParticleStorage& ps,
+ data::ShapeStorage& ss,
+ const Vec3& pos,
+ const Vec3& normal )
+{
+ auto p0 = ps.create(true);
+ p0->getPositionRef() = pos;
+ p0->getShapeIDRef() = ss.create<data::HalfSpace>( normal );
+ p0->getOwnerRef() = walberla::mpi::MPIManager::instance()->rank();
+ p0->getTypeRef() = 0;
+ data::particle_flags::set(p0->getFlagsRef(), data::particle_flags::INFINITE);
+ data::particle_flags::set(p0->getFlagsRef(), data::particle_flags::FIXED);
+ data::particle_flags::set(p0->getFlagsRef(), data::particle_flags::NON_COMMUNICATING);
+}
+
+std::string envToString(const char* env)
+{
+ return env != nullptr ? std::string(env) : "";
+}
+
+int main( int argc, char ** argv )
+{
+ using namespace walberla::timing;
+
+ Environment env(argc, argv);
+ auto mpiManager = walberla::mpi::MPIManager::instance();
+ mpiManager->useWorldComm();
+
+ logging::Logging::instance()->setStreamLogLevel(logging::Logging::INFO);
+ logging::Logging::instance()->setFileLogLevel(logging::Logging::INFO);
+
+ WALBERLA_LOG_INFO_ON_ROOT( "config file: " << argv[1] );
+ WALBERLA_LOG_INFO_ON_ROOT( "waLBerla Revision: " << WALBERLA_GIT_SHA1 );
+
+ math::seedRandomGenerator( static_cast<unsigned int>(1337 * mpiManager->worldRank()) );
+
+ WALBERLA_LOG_INFO_ON_ROOT("*** READING CONFIG FILE ***");
+ auto cfg = env.config();
+ if (cfg == nullptr) WALBERLA_ABORT("No config specified!");
+ const Config::BlockHandle mainConf = cfg->getBlock( "GranularGas" );
+
+ const std::string host = mainConf.getParameter<std::string>("host", "none" );
+ WALBERLA_LOG_INFO_ON_ROOT("host: " << host);
+
+ const int jobid = mainConf.getParameter<int>("jobid", 0 );
+ WALBERLA_LOG_INFO_ON_ROOT("jobid: " << jobid);
+
+ const real_t spacing = mainConf.getParameter<real_t>("spacing", real_t(1.0) );
+ WALBERLA_LOG_INFO_ON_ROOT("spacing: " << spacing);
+
+ const real_t radius = mainConf.getParameter<real_t>("radius", real_t(0.5) );
+ WALBERLA_LOG_INFO_ON_ROOT("radius: " << radius);
+
+ bool bBarrier = mainConf.getParameter<bool>("bBarrier", false );
+ WALBERLA_LOG_INFO_ON_ROOT("bBarrier: " << bBarrier);
+
+ int64_t numOuterIterations = mainConf.getParameter<int64_t>("numOuterIterations", 10 );
+ WALBERLA_LOG_INFO_ON_ROOT("numOuterIterations: " << numOuterIterations);
+
+ int64_t simulationSteps = mainConf.getParameter<int64_t>("simulationSteps", 10 );
+ WALBERLA_LOG_INFO_ON_ROOT("simulationSteps: " << simulationSteps);
+
+ real_t dt = mainConf.getParameter<real_t>("dt", real_c(0.01) );
+ WALBERLA_LOG_INFO_ON_ROOT("dt: " << dt);
+
+ const int visSpacing = mainConf.getParameter<int>("visSpacing", 1000 );
+ WALBERLA_LOG_INFO_ON_ROOT("visSpacing: " << visSpacing);
+ const std::string path = mainConf.getParameter<std::string>("path", "vtk_out" );
+ WALBERLA_LOG_INFO_ON_ROOT("path: " << path);
+
+ const std::string sqlFile = mainConf.getParameter<std::string>("sqlFile", "benchmark.sqlite" );
+ WALBERLA_LOG_INFO_ON_ROOT("sqlFile: " << sqlFile);
+
+ WALBERLA_LOG_INFO_ON_ROOT("*** BLOCKFOREST ***");
+ // create forest
+ auto forest = blockforest::createBlockForestFromConfig( mainConf );
+ if (!forest)
+ {
+ WALBERLA_LOG_INFO_ON_ROOT( "No BlockForest created ... exiting!");
+ return EXIT_SUCCESS;
+ }
+ domain::BlockForestDomain domain(forest);
+
+ auto simulationDomain = forest->getDomain();
+ auto localDomain = forest->begin()->getAABB();
+ for (auto& blk : *forest)
+ {
+ localDomain.merge(blk.getAABB());
+ }
+
+ WALBERLA_LOG_INFO_ON_ROOT("*** SETUP - START ***");
+
+ //init data structures
+ auto ps = std::make_shared<data::ParticleStorage>(100);
+ auto ss = std::make_shared<data::ShapeStorage>();
+ ParticleAccessorWithShape accessor(ps, ss);
+ data::LinkedCells lc(localDomain.getExtended(spacing), spacing );
+
+ auto smallSphere = ss->create<data::Sphere>( radius );
+ ss->shapes[smallSphere]->updateMassAndInertia(real_t(2707));
+ for (auto& iBlk : *forest)
+ {
+ for (auto pt : grid_generator::SCGrid(iBlk.getAABB(), Vector3<real_t>(spacing, spacing, spacing) * real_c(0.5), spacing))
+ {
+ WALBERLA_CHECK(iBlk.getAABB().contains(pt));
+
+ auto p = ps->create();
+ p->getPositionRef() = pt;
+ p->getInteractionRadiusRef() = radius;
+ p->getShapeIDRef() = smallSphere;
+ p->getOwnerRef() = mpiManager->rank();
+ p->getTypeRef() = 0;
+ }
+ }
+ int64_t numParticles = int64_c(ps->size());
+ walberla::mpi::reduceInplace(numParticles, walberla::mpi::SUM);
+ WALBERLA_LOG_INFO_ON_ROOT("#particles created: " << numParticles);
+
+ auto shift = (spacing - radius - radius) * real_t(0.5);
+ auto confiningDomain = simulationDomain.getExtended(shift);
+
+ if (!forest->isPeriodic(0))
+ {
+ createPlane(*ps, *ss, confiningDomain.minCorner(), Vec3(+1,0,0));
+ createPlane(*ps, *ss, confiningDomain.maxCorner(), Vec3(-1,0,0));
+ }
+
+ if (!forest->isPeriodic(1))
+ {
+ createPlane(*ps, *ss, confiningDomain.minCorner(), Vec3(0,+1,0));
+ createPlane(*ps, *ss, confiningDomain.maxCorner(), Vec3(0,-1,0));
+ }
+
+ if (!forest->isPeriodic(2))
+ {
+ createPlane(*ps, *ss, confiningDomain.minCorner(), Vec3(0,0,+1));
+ createPlane(*ps, *ss, confiningDomain.maxCorner(), Vec3(0,0,-1));
+ }
+
+ WALBERLA_LOG_INFO_ON_ROOT("*** SETUP - END ***");
+
+ WALBERLA_LOG_INFO_ON_ROOT("*** VTK ***");
+ auto vtkDomainOutput = walberla::vtk::createVTKOutput_DomainDecomposition( forest, "domain_decomposition", 1, "vtk_out", "simulation_step" );
+ auto vtkOutput = make_shared<mesa_pd::vtk::ParticleVtkOutput>(ps) ;
+ auto vtkWriter = walberla::vtk::createVTKOutput_PointData(vtkOutput, "Bodies", 1, "vtk", "simulation_step", false, false);
+ vtkOutput->addOutput<SelectRank>("rank");
+ vtkOutput->addOutput<data::SelectParticleOwner>("owner");
+ // vtkDomainOutput->write();
+
+ WALBERLA_LOG_INFO_ON_ROOT("*** SIMULATION - START ***");
+ // Init kernels
+ kernel::ExplicitEulerWithShape explicitEulerWithShape( dt );
+ kernel::InsertParticleIntoLinkedCells ipilc;
+ kernel::SpringDashpot dem(1);
+ dem.setStiffness(0, 0, real_t(0));
+ dem.setDampingN (0, 0, real_t(0));
+ dem.setDampingT (0, 0, real_t(0));
+ dem.setFriction (0, 0, real_t(0));
+ collision_detection::AnalyticContactDetection acd;
+ kernel::DoubleCast double_cast;
+ mpi::ContactFilter contact_filter;
+ mpi::ReduceProperty RP;
+ mpi::SyncNextNeighbors SNN;
+ std::vector<Contact> contacts;
+ contacts.reserve(4000000);
+
+ // initial sync
+ SNN(*ps, domain);
+
+ for (int64_t outerIteration = 0; outerIteration < numOuterIterations; ++outerIteration)
+ {
+ WALBERLA_LOG_INFO_ON_ROOT("*** RUNNING OUTER ITERATION " << outerIteration << " ***");
+
+ WcTimingPool tp;
+
+ WALBERLA_MPI_BARRIER();
+ tp["GenerateLinkedCells"].start();
+ for (int64_t i=0; i < simulationSteps; ++i)
+ {
+ lc.clear();
+ ps->forEachParticle(true, kernel::SelectAll(), accessor, ipilc, accessor, lc);
+ }
+ tp["GenerateLinkedCells"].end();
+
+ int64_t contactsChecked = 0;
+ int64_t contactsDetected = 0;
+ int64_t contactsTreated = 0;
+ WALBERLA_MPI_BARRIER();
+ tp["ContactDetection"].start();
+ for (int64_t i=0; i < simulationSteps; ++i)
+ {
+ contacts.clear();
+ contactsChecked = 0;
+ contactsDetected = 0;
+ contactsTreated = 0;
+ lc.forEachParticlePairHalf(true,
+ kernel::SelectAll(),
+ accessor,
+ [&](const size_t idx1, const size_t idx2, auto& ac)
+ {
+ ++contactsChecked;
+ if (double_cast(idx1, idx2, ac, acd, ac ))
+ {
+ ++contactsDetected;
+ if (contact_filter(acd.getIdx1(), acd.getIdx2(), ac, acd.getContactPoint(), domain))
+ {
+ ++contactsTreated;
+ contacts.emplace_back(acd.getIdx1(), acd.getIdx2(), acd.getContactPoint(), acd.getContactNormal(), acd.getPenetrationDepth());
+ }
+ }
+ },
+ accessor );
+ }
+ tp["ContactDetection"].end();
+
+ WALBERLA_MPI_BARRIER();
+ tp["DEM"].start();
+ for (int64_t i=0; i < simulationSteps; ++i)
+ {
+ for (auto& c : contacts)
+ {
+ dem(c.idx1_, c.idx2_, accessor, c.contactPoint_, c.contactNormal_, c.penetrationDepth_);
+ }
+ }
+ tp["DEM"].end();
+
+ WALBERLA_MPI_BARRIER();
+ tp["ReduceForce"].start();
+ for (int64_t i=0; i < simulationSteps; ++i)
+ {
+ RP.operator()<ForceTorqueNotification>(*ps);
+ }
+ tp["ReduceForce"].end();
+
+ WALBERLA_MPI_BARRIER();
+ tp["Euler"].start();
+ for (int64_t i=0; i < simulationSteps; ++i)
+ {
+ ps->forEachParticle(true, kernel::SelectLocal(), accessor, explicitEulerWithShape, accessor);
+ }
+ tp["Euler"].end();
+
+ WALBERLA_MPI_BARRIER();
+ tp["SNN"].start();
+ for (int64_t i=0; i < simulationSteps; ++i)
+ {
+ SNN(*ps, domain);
+ }
+ tp["SNN"].end();
+
+ WALBERLA_LOG_INFO_ON_ROOT("*** SIMULATION - END ***");
+
+ WALBERLA_LOG_INFO_ON_ROOT("*** CHECKING RESULT - START ***");
+ auto pIt = ps->begin();
+ for (auto& iBlk : *forest)
+ {
+ for (auto it = grid_generator::SCIterator(iBlk.getAABB(), Vector3<real_t>(spacing, spacing, spacing) * real_c(0.5), spacing);
+ it != grid_generator::SCIterator();
+ ++it, ++pIt)
+ {
+ WALBERLA_CHECK_UNEQUAL(pIt, ps->end());
+ WALBERLA_CHECK_FLOAT_EQUAL((*pIt).getPositionRef(), *it);
+ }
+ }
+ WALBERLA_LOG_INFO_ON_ROOT("*** CHECKING RESULT - END ***");
+
+ WALBERLA_LOG_INFO_ON_ROOT("*** SQL OUTPUT - START ***");
+ auto SNNBytesSent = SNN.getBytesSent();
+ auto SNNBytesReceived = SNN.getBytesReceived();
+ auto SNNSends = SNN.getNumberOfSends();
+ auto SNNReceives = SNN.getNumberOfReceives();
+ auto RPBytesSent = RP.getBytesSent();
+ auto RPBytesReceived = RP.getBytesReceived();
+ auto RPSends = RP.getNumberOfSends();
+ auto RPReceives = RP.getNumberOfReceives();
+ walberla::mpi::reduceInplace(SNNBytesSent, walberla::mpi::SUM);
+ walberla::mpi::reduceInplace(SNNBytesReceived, walberla::mpi::SUM);
+ walberla::mpi::reduceInplace(SNNSends, walberla::mpi::SUM);
+ walberla::mpi::reduceInplace(SNNReceives, walberla::mpi::SUM);
+ walberla::mpi::reduceInplace(RPBytesSent, walberla::mpi::SUM);
+ walberla::mpi::reduceInplace(RPBytesReceived, walberla::mpi::SUM);
+ walberla::mpi::reduceInplace(RPSends, walberla::mpi::SUM);
+ walberla::mpi::reduceInplace(RPReceives, walberla::mpi::SUM);
+ auto cC = walberla::mpi::reduce(contactsChecked, walberla::mpi::SUM);
+ auto cD = walberla::mpi::reduce(contactsDetected, walberla::mpi::SUM);
+ auto cT = walberla::mpi::reduce(contactsTreated, walberla::mpi::SUM);
+ WALBERLA_LOG_DEVEL_ON_ROOT( "SNN bytes communicated: " << SNNBytesSent << " / " << SNNBytesReceived );
+ WALBERLA_LOG_DEVEL_ON_ROOT( "SNN communication partners: " << SNNSends << " / " << SNNReceives );
+ WALBERLA_LOG_DEVEL_ON_ROOT( "RP bytes communicated: " << RPBytesSent << " / " << RPBytesReceived );
+ WALBERLA_LOG_DEVEL_ON_ROOT( "RP communication partners: " << RPSends << " / " << RPReceives );
+ WALBERLA_LOG_DEVEL_ON_ROOT( "contacts checked/detected/treated: " << cC << " / " << cD << " / " << cT );
+
+ auto tp_reduced = tp.getReduced();
+ WALBERLA_LOG_INFO_ON_ROOT(*tp_reduced);
+
+ numParticles = 0;
+ int64_t numGhostParticles = 0;
+ ps->forEachParticle(false,
+ kernel::SelectAll(),
+ accessor,
+ [&numParticles, &numGhostParticles](const size_t idx, auto& ac)
+ {
+ if (data::particle_flags::isSet( ac.getFlagsRef(idx), data::particle_flags::GHOST))
+ {
+ ++numGhostParticles;
+ } else
+ {
+ ++numParticles;
+ }
+ },
+ accessor);
+ walberla::mpi::reduceInplace(numParticles, walberla::mpi::SUM);
+ walberla::mpi::reduceInplace(numGhostParticles, walberla::mpi::SUM);
+ walberla::mpi::reduceInplace(contactsChecked, walberla::mpi::SUM);
+ walberla::mpi::reduceInplace(contactsDetected, walberla::mpi::SUM);
+ walberla::mpi::reduceInplace(contactsTreated, walberla::mpi::SUM);
+ double linkedCellsVolume = lc.domain_.volume();
+ walberla::mpi::reduceInplace(linkedCellsVolume, walberla::mpi::SUM);
+ size_t numLinkedCells = lc.cells_.size();
+ walberla::mpi::reduceInplace(numLinkedCells, walberla::mpi::SUM);
+ size_t local_aabbs = domain.getNumLocalAABBs();
+ size_t neighbor_subdomains = domain.getNumNeighborSubdomains();
+ size_t neighbor_processes = domain.getNumNeighborProcesses();
+ walberla::mpi::reduceInplace(local_aabbs, walberla::mpi::SUM);
+ walberla::mpi::reduceInplace(neighbor_subdomains, walberla::mpi::SUM);
+ walberla::mpi::reduceInplace(neighbor_processes, walberla::mpi::SUM);
+ WALBERLA_ROOT_SECTION()
+ {
+ std::map< std::string, walberla::int64_t > integerProperties;
+ std::map< std::string, double > realProperties;
+ std::map< std::string, std::string > stringProperties;
+
+ stringProperties["walberla_git"] = WALBERLA_GIT_SHA1;
+ stringProperties["tag"] = "mesa_pd";
+ stringProperties["host"] = host;
+ integerProperties["jobid"] = jobid;
+ integerProperties["mpi_num_processes"] = mpiManager->numProcesses();
+ integerProperties["omp_max_threads"] = omp_get_max_threads();
+ integerProperties["numOuterIterations"] = numOuterIterations;
+ integerProperties["simulationSteps"] = simulationSteps;
+ integerProperties["bBarrier"] = int64_c(bBarrier);
+ integerProperties["num_particles"] = numParticles;
+ integerProperties["num_ghost_particles"] = numGhostParticles;
+ integerProperties["contacts_checked"] = contactsChecked;
+ integerProperties["contacts_detected"] = contactsDetected;
+ integerProperties["contacts_treated"] = contactsTreated;
+ integerProperties["blocks_x"] = int64_c(forest->getXSize());
+ integerProperties["blocks_y"] = int64_c(forest->getXSize());
+ integerProperties["blocks_z"] = int64_c(forest->getXSize());
+ realProperties["domain_x"] = double_c(forest->getDomain().xSize());
+ realProperties["domain_y"] = double_c(forest->getDomain().ySize());
+ realProperties["domain_z"] = double_c(forest->getDomain().zSize());
+ integerProperties["local_aabbs"] = int64_c(local_aabbs);
+ integerProperties["neighbor_subdomains"] = int64_c(neighbor_subdomains);
+ integerProperties["neighbor_processes"] = int64_c(neighbor_processes);
+ integerProperties["SNNBytesSent"] = SNNBytesSent;
+ integerProperties["SNNBytesReceived"] = SNNBytesReceived;
+ integerProperties["SNNSends"] = SNNSends;
+ integerProperties["SNNReceives"] = SNNReceives;
+ integerProperties["RPBytesSent"] = RPBytesSent;
+ integerProperties["RPBytesReceived"] = RPBytesReceived;
+ integerProperties["RPSends"] = RPSends;
+ integerProperties["RPReceives"] = RPReceives;
+ realProperties["linkedCellsVolume"] = linkedCellsVolume;
+ integerProperties["numLinkedCells"] = int64_c(numLinkedCells);
+ stringProperties["SLURM_CLUSTER_NAME"] = envToString(std::getenv( "SLURM_CLUSTER_NAME" ));
+ stringProperties["SLURM_CPUS_ON_NODE"] = envToString(std::getenv( "SLURM_CPUS_ON_NODE" ));
+ stringProperties["SLURM_CPUS_PER_TASK"] = envToString(std::getenv( "SLURM_CPUS_PER_TASK" ));
+ stringProperties["SLURM_JOB_ACCOUNT"] = envToString(std::getenv( "SLURM_JOB_ACCOUNT" ));
+ stringProperties["SLURM_JOB_ID"] = envToString(std::getenv( "SLURM_JOB_ID" ));
+ stringProperties["SLURM_JOB_CPUS_PER_NODE"] = envToString(std::getenv( "SLURM_JOB_CPUS_PER_NODE" ));
+ stringProperties["SLURM_JOB_NAME"] = envToString(std::getenv( "SLURM_JOB_NAME" ));
+ stringProperties["SLURM_JOB_NUM_NODES"] = envToString(std::getenv( "SLURM_JOB_NUM_NODES" ));
+ stringProperties["SLURM_NTASKS"] = envToString(std::getenv( "SLURM_NTASKS" ));
+ stringProperties["SLURM_NTASKS_PER_CORE"] = envToString(std::getenv( "SLURM_NTASKS_PER_CORE" ));
+ stringProperties["SLURM_NTASKS_PER_NODE"] = envToString(std::getenv( "SLURM_NTASKS_PER_NODE" ));
+ stringProperties["SLURM_NTASKS_PER_SOCKET"] = envToString(std::getenv( "SLURM_NTASKS_PER_SOCKET" ));
+ stringProperties["SLURM_TASKS_PER_NODE"] = envToString(std::getenv( "SLURM_TASKS_PER_NODE" ));
+
+
+ auto runId = postprocessing::storeRunInSqliteDB( sqlFile, integerProperties, stringProperties, realProperties );
+ postprocessing::storeTimingPoolInSqliteDB( sqlFile, runId, *tp_reduced, "Timeloop" );
+ }
+ WALBERLA_LOG_INFO_ON_ROOT("*** SQL OUTPUT - END ***");
+ }
+
+ return EXIT_SUCCESS;
+}
+
+} // namespace mesa_pd
+} // namespace walberla
+
+int main( int argc, char* argv[] )
+{
+ return walberla::mesa_pd::main( argc, argv );
+}
diff --git a/apps/benchmarks/PeriodicGranularGas/PeriodicGranularGas.cfg b/apps/benchmarks/GranularGas/PE_Benchmark.cfg
similarity index 95%
rename from apps/benchmarks/PeriodicGranularGas/PeriodicGranularGas.cfg
rename to apps/benchmarks/GranularGas/PE_Benchmark.cfg
index e281e9b0e..7d23638c7 100644
--- a/apps/benchmarks/PeriodicGranularGas/PeriodicGranularGas.cfg
+++ b/apps/benchmarks/GranularGas/PE_Benchmark.cfg
@@ -1,5 +1,5 @@
-PeriodicGranularGas
+GranularGas
{
simulationCorner < 0, 0, 0 >;
simulationDomain < 30, 30, 30 >;
diff --git a/apps/benchmarks/PeriodicGranularGas/PeriodicGranularGas.cpp b/apps/benchmarks/GranularGas/PE_GranularGas.cpp
similarity index 57%
rename from apps/benchmarks/PeriodicGranularGas/PeriodicGranularGas.cpp
rename to apps/benchmarks/GranularGas/PE_GranularGas.cpp
index 1dfc02fd2..6178e9ee9 100644
--- a/apps/benchmarks/PeriodicGranularGas/PeriodicGranularGas.cpp
+++ b/apps/benchmarks/GranularGas/PE_GranularGas.cpp
@@ -13,7 +13,7 @@
// You should have received a copy of the GNU General Public License along
// with waLBerla (see COPYING.txt). If not, see <http://www.gnu.org/licenses/>.
//
-//! \file PeriodicGranularGas.cpp
+//! \file PE_GranularGas.cpp
//! \author Sebastian Eibl <sebastian.eibl@fau.de>
//
//======================================================================================================================
@@ -27,8 +27,10 @@
#include <core/math/Random.h>
#include <core/grid_generator/SCIterator.h>
#include <core/logging/Logging.h>
+#include <core/OpenMP.h>
#include <core/timing/TimingTree.h>
#include <core/waLBerlaBuildInfo.h>
+#include <postprocessing/sqlite/SQLite.h>
#include <vtk/VTKOutput.h>
#include <functional>
@@ -39,7 +41,7 @@ namespace walberla {
using namespace walberla::pe;
using namespace walberla::timing;
-using BodyTuple = std::tuple<Sphere> ;
+using BodyTuple = std::tuple<Sphere, Plane> ;
int main( int argc, char ** argv )
{
@@ -83,9 +85,27 @@ int main( int argc, char ** argv )
WALBERLA_LOG_INFO_ON_ROOT("*** READING CONFIG FILE ***");
auto cfg = env.config();
if (cfg == nullptr) WALBERLA_ABORT("No config specified!");
- const Config::BlockHandle mainConf = cfg->getBlock( "PeriodicGranularGas" );
+ const Config::BlockHandle mainConf = cfg->getBlock( "GranularGas" );
- int simulationSteps = mainConf.getParameter<int>("simulationSteps", 10 );
+ const std::string host = mainConf.getParameter<std::string>("host", "none" );
+ WALBERLA_LOG_INFO_ON_ROOT("host: " << host);
+
+ const int jobid = mainConf.getParameter<int>("jobid", 0 );
+ WALBERLA_LOG_INFO_ON_ROOT("jobid: " << jobid);
+
+ const real_t spacing = mainConf.getParameter<real_t>("spacing", real_t(1.0) );
+ WALBERLA_LOG_INFO_ON_ROOT("spacing: " << spacing);
+
+ const real_t radius = mainConf.getParameter<real_t>("radius", real_t(0.5) );
+ WALBERLA_LOG_INFO_ON_ROOT("radius: " << radius);
+
+ bool bBarrier = false;
+ WALBERLA_LOG_INFO_ON_ROOT("bBarrier: " << bBarrier);
+
+ int64_t numOuterIterations = mainConf.getParameter<int64_t>("numOuterIterations", 10 );
+ WALBERLA_LOG_INFO_ON_ROOT("numOuterIterations: " << numOuterIterations);
+
+ int64_t simulationSteps = mainConf.getParameter<int64_t>("simulationSteps", 10 );
WALBERLA_LOG_INFO_ON_ROOT("simulationSteps: " << simulationSteps);
real_t dt = mainConf.getParameter<real_t>("dt", real_c(0.01) );
@@ -96,6 +116,9 @@ int main( int argc, char ** argv )
const std::string path = mainConf.getParameter<std::string>("path", "vtk_out" );
WALBERLA_LOG_INFO_ON_ROOT("path: " << path);
+ const std::string sqlFile = mainConf.getParameter<std::string>("sqlFile", "benchmark.sqlite" );
+ WALBERLA_LOG_INFO_ON_ROOT("sqlFile: " << sqlFile);
+
WALBERLA_LOG_INFO_ON_ROOT("*** GLOBALBODYSTORAGE ***");
shared_ptr<BodyStorage> globalBodyStorage = make_shared<BodyStorage>();
@@ -182,16 +205,13 @@ int main( int argc, char ** argv )
auto vtkSphereOutput = vtk::createVTKOutput_PointData(vtkSphereHelper, "Bodies", 1, "vtk_out", "simulation_step", false, false);
WALBERLA_LOG_INFO_ON_ROOT("*** SETUP - START ***");
- const real_t static_cof ( real_c(0.1) / 2 ); // Coefficient of static friction. Note: pe doubles the input coefficient of friction for material-material contacts.
- const real_t dynamic_cof ( static_cof ); // Coefficient of dynamic friction. Similar to static friction for low speed friction.
- MaterialID material = createMaterial( "granular", real_t( 1.0 ), 0, static_cof, dynamic_cof, real_t( 0.5 ), 1, 1, 0, 0 );
+ //const real_t static_cof ( real_c(0.1) / 2 ); // Coefficient of static friction. Note: pe doubles the input coefficient of friction for material-material contacts.
+ //const real_t dynamic_cof ( static_cof ); // Coefficient of dynamic friction. Similar to static friction for low speed friction.
+ MaterialID material = createMaterial( "granular", real_t( 1.0 ), 0, 0, 0, real_t( 0.5 ), 1, real_t(1e-6), 0, 0 );
auto simulationDomain = forest->getDomain();
const auto& generationDomain = simulationDomain; // simulationDomain.getExtended(-real_c(0.5) * spacing);
-
- const real_t spacing(1.0);
- const real_t radius(0.5);
- uint_t numParticles = uint_c(0);
+ int64_t numParticles = 0;
for (auto& currentBlock : *forest)
{
@@ -204,6 +224,22 @@ int main( int argc, char ** argv )
mpi::reduceInplace(numParticles, mpi::SUM);
WALBERLA_LOG_INFO_ON_ROOT("#particles created: " << numParticles);
+ if (!forest->isPeriodic(0))
+ {
+ createPlane(*globalBodyStorage, 0, Vec3(+1,0,0), forest->getDomain().minCorner());
+ createPlane(*globalBodyStorage, 0, Vec3(-1,0,0), forest->getDomain().maxCorner());
+ }
+ if (!forest->isPeriodic(1))
+ {
+ createPlane(*globalBodyStorage, 0, Vec3(0,+1,0), forest->getDomain().minCorner());
+ createPlane(*globalBodyStorage, 0, Vec3(0,-1,0), forest->getDomain().maxCorner());
+ }
+ if (!forest->isPeriodic(2))
+ {
+ createPlane(*globalBodyStorage, 0, Vec3(0,0,+1), forest->getDomain().minCorner());
+ createPlane(*globalBodyStorage, 0, Vec3(0,0,-1), forest->getDomain().maxCorner());
+ }
+
WALBERLA_LOG_INFO_ON_ROOT("*** SETUP - END ***");
// synchronize particles
@@ -211,51 +247,103 @@ int main( int argc, char ** argv )
syncCallWithoutTT();
WALBERLA_LOG_INFO_ON_ROOT("*** SIMULATION - START ***");
- WALBERLA_MPI_BARRIER();
- WcTimer timer;
- for (int i=0; i < simulationSteps; ++i)
+ for (int64_t outerIteration = 0; outerIteration < numOuterIterations; ++outerIteration)
{
- if( i % 200 == 0 )
+ WALBERLA_LOG_INFO_ON_ROOT("*** RUNNING OUTER ITERATION " << outerIteration << " ***");
+ WALBERLA_MPI_BARRIER();
+ WcTimer timer;
+ WcTimingPool tp;
+ for (int64_t i=0; i < simulationSteps; ++i)
{
- WALBERLA_LOG_DEVEL_ON_ROOT( "Timestep " << i << " / " << simulationSteps );
+ if( i % 200 == 0 )
+ {
+ WALBERLA_LOG_DEVEL_ON_ROOT( "Timestep " << i << " / " << simulationSteps );
+ }
+
+ tp["CR"].start();
+ cr->timestep( real_c(dt) );
+ tp["CR"].end();
+ tp["Sync"].start();
+ syncCallWithoutTT();
+ tp["Sync"].end();
+
+ //if( i % visSpacing == 0 )
+ //{
+ // vtkDomainOutput->write( );
+ // vtkSphereOutput->write( );
+ //}
+ }
+ WALBERLA_MPI_BARRIER();
+ timer.end();
+ WALBERLA_LOG_INFO_ON_ROOT("runtime: " << timer.average());
+ auto PUpS = real_c(numParticles) * real_c(simulationSteps) / timer.average();
+ WALBERLA_LOG_INFO_ON_ROOT("PUpS: " << PUpS);
+ auto tp_reduced = tp.getReduced();
+ WALBERLA_LOG_INFO_ON_ROOT(*tp_reduced);
+ WALBERLA_LOG_INFO_ON_ROOT("*** SIMULATION - END ***");
+
+ auto temp = tt.getReduced( );
+ WALBERLA_ROOT_SECTION()
+ {
+ std::cout << temp;
}
- cr->timestep( real_c(dt) );
- syncCallWithoutTT();
-
-// if( i % visSpacing == 0 )
-// {
-// vtkDomainOutput->write( );
-// vtkSphereOutput->write( );
-// }
- }
- WALBERLA_MPI_BARRIER();
- timer.end();
- WALBERLA_LOG_INFO_ON_ROOT("runtime: " << timer.average());
- WALBERLA_LOG_INFO_ON_ROOT("*** SIMULATION - END ***");
-
- auto temp = tt.getReduced( );
- WALBERLA_ROOT_SECTION()
- {
- std::cout << temp;
- }
-
- WALBERLA_LOG_INFO_ON_ROOT("*** CHECKING RESULT - START ***");
- for (auto& currentBlock : *forest)
- {
- Storage * storage = currentBlock.getData< Storage >( storageID );
- BodyStorage& localStorage = (*storage)[0];
+ WALBERLA_LOG_INFO_ON_ROOT("*** CHECKING RESULT - START ***");
+ numParticles = 0;
+ int64_t numGhostParticles = 0;
+ for (auto& currentBlock : *forest)
+ {
+ Storage * storage = currentBlock.getData< Storage >( storageID );
+ BodyStorage& localStorage = (*storage)[0];
+ BodyStorage& shadowStorage = (*storage)[1];
+ numParticles += localStorage.size();
+ numGhostParticles += shadowStorage.size();
+
+ auto bodyIt = localStorage.begin();
+ for (auto it = grid_generator::SCIterator(currentBlock.getAABB().getIntersection(generationDomain), Vector3<real_t>(spacing, spacing, spacing) * real_c(0.5), spacing);
+ it != grid_generator::SCIterator();
+ ++it, ++bodyIt)
+ {
+ WALBERLA_CHECK_UNEQUAL(bodyIt, localStorage.end());
+ WALBERLA_CHECK_FLOAT_EQUAL(bodyIt->getPosition(), *it);
+ }
+ }
+ mpi::reduceInplace(numParticles, mpi::SUM);
+ mpi::reduceInplace(numGhostParticles, mpi::SUM);
+ WALBERLA_LOG_INFO_ON_ROOT("*** CHECKING RESULT - END ***");
- auto bodyIt = localStorage.begin();
- for (auto it = grid_generator::SCIterator(currentBlock.getAABB().getIntersection(generationDomain), Vector3<real_t>(spacing, spacing, spacing) * real_c(0.5), spacing);
- it != grid_generator::SCIterator();
- ++it, ++bodyIt)
+ WALBERLA_ROOT_SECTION()
{
- WALBERLA_CHECK_UNEQUAL(bodyIt, localStorage.end());
- WALBERLA_CHECK_FLOAT_EQUAL(bodyIt->getPosition(), *it);
+ std::map< std::string, walberla::int64_t > integerProperties;
+ std::map< std::string, double > realProperties;
+ std::map< std::string, std::string > stringProperties;
+
+ stringProperties["walberla_git"] = WALBERLA_GIT_SHA1;
+ stringProperties["tag"] = "pe";
+ stringProperties["host"] = host;
+ integerProperties["jobid"] = jobid;
+ integerProperties["bDEM"] = bDEM;
+ integerProperties["bNN"] = bNN;
+ integerProperties["mpi_num_processes"] = mpi::MPIManager::instance()->numProcesses();
+ integerProperties["omp_max_threads"] = omp_get_max_threads();
+ integerProperties["numOuterIterations"] = numOuterIterations;
+ integerProperties["simulationSteps"] = simulationSteps;
+ integerProperties["bBarrier"] = int64_c(bBarrier);
+ realProperties["PUpS"] = double_c(PUpS);
+ integerProperties["num_particles"] = numParticles;
+ integerProperties["num_ghost_particles"] = numGhostParticles;
+ integerProperties["blocks_x"] = int64_c(forest->getXSize());
+ integerProperties["blocks_y"] = int64_c(forest->getXSize());
+ integerProperties["blocks_z"] = int64_c(forest->getXSize());
+ realProperties["domain_x"] = double_c(forest->getDomain().xSize());
+ realProperties["domain_y"] = double_c(forest->getDomain().ySize());
+ realProperties["domain_z"] = double_c(forest->getDomain().zSize());
+
+ auto runId = postprocessing::storeRunInSqliteDB( sqlFile, integerProperties, stringProperties, realProperties );
+ postprocessing::storeTimingPoolInSqliteDB( sqlFile, runId, *tp_reduced, "Timeloop" );
}
+ WALBERLA_LOG_INFO_ON_ROOT("*** SQL OUTPUT - END ***");
}
- WALBERLA_LOG_INFO_ON_ROOT("*** CHECKING RESULT - END ***");
return EXIT_SUCCESS;
}
@@ -263,5 +351,5 @@ int main( int argc, char ** argv )
int main( int argc, char* argv[] )
{
- return walberla::main( argc, argv );
+ return walberla::main( argc, argv );
}
diff --git a/apps/benchmarks/GranularGas/upload.py b/apps/benchmarks/GranularGas/upload.py
new file mode 100644
index 000000000..7d1b1badd
--- /dev/null
+++ b/apps/benchmarks/GranularGas/upload.py
@@ -0,0 +1,56 @@
+import os
+import time
+import math
+import random
+import re
+from influxdb import InfluxDBClient
+from git import Repo
+
+
+class Upload:
+ def __init__(self):
+ try:
+ self.write_user_pw = os.environ["INFLUXDB_WRITE_USER"]
+ except KeyError:
+ import sys
+ print('Password for the InfluxDB write_user was not set.\n',
+ 'See https://docs.gitlab.com/ee/ci/variables/#secret-variables', file=sys.stderr)
+ exc_info = sys.exc_info()
+ raise exc_info[0].with_traceback(exc_info[1], exc_info[2])
+
+ self.client = InfluxDBClient('i10grafana.informatik.uni-erlangen.de', 8086,
+ 'pe', self.write_user_pw, 'pe')
+
+ def process(self, filename, model, friction, sync, parallelization):
+ with open(filename) as f:
+ s = f.read()
+ m = re.search('PUpS: (\S*)', s)
+
+ json_body = [
+ {
+ 'measurement': 'pe_benchmark',
+ 'tags': {
+ 'host' : os.uname()[1],
+ 'image' : os.environ["DOCKER_IMAGE_NAME"],
+ 'model' : model,
+ 'friction' : friction,
+ 'sync' : sync,
+ 'parallelization' : parallelization
+ },
+ 'time': int(time.time()),
+ 'fields': {'PUpS': float(m.group(1))}
+ }
+ ]
+ print(float(m.group(1)))
+ self.client.write_points(json_body, time_precision='s')
+
+if __name__ == "__main__":
+ up = Upload()
+ up.process("GranularGas_DEM_NN.txt", "DEM", "Coulomb", "next neighbors", "8P1T")
+ up.process("GranularGas_DEM_SO.txt", "DEM", "Coulomb", "shadow owners", "8P1T")
+ up.process("GranularGas_HCSITS_NN_IFC.txt", "HCSITS", "InelasticFrictionlessContact", "next neighbors", "8P1T")
+ up.process("GranularGas_HCSITS_NN_AICCBD.txt", "HCSITS", "ApproximateInelasticCoulombContactByDecoupling", "next neighbors", "8P1T")
+ up.process("GranularGas_HCSITS_NN_ICCBD.txt", "HCSITS", "InelasticCoulombContactByDecoupling", "next neighbors", "8P1T")
+ up.process("GranularGas_HCSITS_NN_IGMDC.txt", "HCSITS", "InelasticGeneralizedMaximumDissipationContact", "next neighbors", "8P1T")
+ up.process("GranularGas_HCSITS_SO_IFC.txt", "HCSITS", "InelasticFrictionlessContact", "shadow owners", "8P1T")
+
diff --git a/apps/benchmarks/PeriodicGranularGas/CMakeLists.txt b/apps/benchmarks/LennardJones/CMakeLists.txt
similarity index 56%
rename from apps/benchmarks/PeriodicGranularGas/CMakeLists.txt
rename to apps/benchmarks/LennardJones/CMakeLists.txt
index d26f6314f..f0438a663 100644
--- a/apps/benchmarks/PeriodicGranularGas/CMakeLists.txt
+++ b/apps/benchmarks/LennardJones/CMakeLists.txt
@@ -1,6 +1,6 @@
waLBerla_link_files_to_builddir( *.cfg )
waLBerla_link_files_to_builddir( *.py )
-waLBerla_add_executable ( NAME PeriodicGranularGas
- FILES PeriodicGranularGas.cpp
+waLBerla_add_executable ( NAME LennardJones
+ FILES LennardJones.cpp
DEPENDS blockforest core pe )
diff --git a/apps/benchmarks/LennardJones/LennardJones.cpp b/apps/benchmarks/LennardJones/LennardJones.cpp
new file mode 100644
index 000000000..756a5cbc0
--- /dev/null
+++ b/apps/benchmarks/LennardJones/LennardJones.cpp
@@ -0,0 +1,207 @@
+//======================================================================================================================
+//
+// This file is part of waLBerla. waLBerla is free software: you can
+// redistribute it and/or modify it under the terms of the GNU General Public
+// License as published by the Free Software Foundation, either version 3 of
+// the License, or (at your option) any later version.
+//
+// waLBerla is distributed in the hope that it will be useful, but WITHOUT
+// ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
+// FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License
+// for more details.
+//
+// You should have received a copy of the GNU General Public License along
+// with waLBerla (see COPYING.txt). If not, see <http://www.gnu.org/licenses/>.
+//
+//! \file LennardJones.cpp
+//! \author Sebastian Eibl <sebastian.eibl@fau.de>
+//
+//======================================================================================================================
+
+#include <pe/basic.h>
+#include <pe/vtk/SphereVtkOutput.h>
+
+#include <blockforest/Initialization.h>
+#include <core/Abort.h>
+#include <core/Environment.h>
+#include <core/grid_generator/SCIterator.h>
+#include <core/logging/Logging.h>
+#include <core/math/Random.h>
+#include <core/waLBerlaBuildInfo.h>
+#include <vtk/VTKOutput.h>
+
+#include <functional>
+#include <memory>
+#include <tuple>
+
+namespace walberla {
+using namespace walberla::pe;
+using namespace walberla::timing;
+
+using BodyTuple = std::tuple<Sphere> ;
+
+inline
+void LJ(RigidBody& bd1, RigidBody& bd2)
+{
+ if (bd1.getSystemID() != bd2.getSystemID())
+ {
+ Vec3 dir = bd1.getPosition() - bd2.getPosition();
+ const real_t inv_d = real_t(1) / length(dir);
+ dir *= inv_d;
+ WALBERLA_ASSERT_FLOAT_EQUAL(length(dir),
+ real_t(1),
+ "direction not normalized: " << dir);
+ const real_t sr = real_t(1.21) * inv_d;
+ const real_t sr6 = (sr*sr*sr)*(sr*sr*sr);
+ const real_t force = real_t(4) * real_t(2.12) * sr6 * ( sr6 - 1 );
+ bd1.addForce(force * dir);
+ }
+}
+
+inline
+void integrate(RigidBody& bd)
+{
+ bd.setLinearVel( bd.getForce() * real_t(0.01) + bd.getLinearVel() );
+ bd.setPosition( bd.getLinearVel() * real_t(0.01) + bd.getPosition() );
+ bd.setForce( Vec3( real_t(0) ) );
+}
+
+int main( int argc, char ** argv )
+{
+ Environment env(argc, argv);
+
+ logging::Logging::instance()->setStreamLogLevel(logging::Logging::INFO);
+ logging::Logging::instance()->setFileLogLevel(logging::Logging::INFO);
+
+ WALBERLA_LOG_INFO_ON_ROOT( "config file: " << argv[1] )
+ WALBERLA_LOG_INFO_ON_ROOT( "waLBerla Revision: " << WALBERLA_GIT_SHA1 );
+
+ math::seedRandomGenerator( static_cast<unsigned int>(1337 * mpi::MPIManager::instance()->worldRank()) );
+
+ WALBERLA_LOG_INFO_ON_ROOT("*** GLOBALBODYSTORAGE ***");
+ shared_ptr<BodyStorage> globalBodyStorage = make_shared<BodyStorage>();
+
+ WALBERLA_LOG_INFO_ON_ROOT("*** BLOCKFOREST ***");
+ //domain setup
+ const real_t spacing = real_t(1.0);
+ math::AABB domain( Vec3(real_t(-0.5), real_t(-0.5), real_t(-0.5)),
+ Vec3(real_t(+0.5), real_t(+0.5), real_t(+0.5)));
+ domain.scale(real_t(20));
+
+ // create forest
+ auto forest = blockforest::createBlockForest(domain,
+ Vector3<uint_t>(1,1,1),
+ Vector3<bool>(false, false, false));
+ if (!forest)
+ {
+ WALBERLA_LOG_INFO_ON_ROOT( "No BlockForest created ... exiting!");
+ return EXIT_SUCCESS;
+ }
+
+ WALBERLA_LOG_INFO_ON_ROOT("simulationDomain: " << forest->getDomain());
+
+ WALBERLA_LOG_INFO_ON_ROOT("blocks: " << Vector3<uint_t>(forest->getXSize(), forest->getYSize(), forest->getZSize()) );
+
+ WALBERLA_LOG_INFO_ON_ROOT("*** BODYTUPLE ***");
+ // initialize body type ids
+ SetBodyTypeIDs<BodyTuple>::execute();
+
+ WALBERLA_LOG_INFO_ON_ROOT("*** STORAGEDATAHANDLING ***");
+ // add block data
+ auto storageID = forest->addBlockData(createStorageDataHandling<BodyTuple>(), "Storage");
+ auto ccdID = forest->addBlockData(ccd::createHashGridsDataHandling( globalBodyStorage, storageID ), "CCD");
+ auto fcdID = forest->addBlockData(fcd::createGenericFCDDataHandling<BodyTuple, fcd::AnalyticCollideFunctor>(), "FCD");
+ WALBERLA_UNUSED(ccdID);
+ WALBERLA_UNUSED(fcdID);
+
+ WALBERLA_LOG_INFO_ON_ROOT("*** SYNCCALL ***");
+ std::function<void(void)> syncCallWithoutTT;
+ syncCallWithoutTT = std::bind( pe::syncNextNeighbors<BodyTuple>, std::ref(*forest), storageID, static_cast<WcTimingTree*>(nullptr), real_c(0.1), false );
+ WALBERLA_LOG_INFO_ON_ROOT("Using NextNeighbor sync!");
+
+ WALBERLA_LOG_INFO_ON_ROOT("*** VTK ***");
+ auto vtkDomainOutput = vtk::createVTKOutput_DomainDecomposition( forest, "domain_decomposition", 1, "vtk_out", "simulation_step" );
+ auto vtkSphereHelper = make_shared<SphereVtkOutput>(storageID, *forest) ;
+ auto vtkSphereOutput = vtk::createVTKOutput_PointData(vtkSphereHelper, "Bodies", 1, "vtk_out", "simulation_step", false, false);
+
+ WALBERLA_LOG_INFO_ON_ROOT("*** SETUP - START ***");
+ auto simulationDomain = forest->getDomain();
+ const auto& generationDomain = simulationDomain; // simulationDomain.getExtended(-real_c(0.5) * spacing);
+
+ //initialize particles
+ uint_t numParticles(0);
+ for (auto it = grid_generator::SCIterator(generationDomain, Vec3(spacing, spacing, spacing) * real_c(0.5), spacing);
+ it != grid_generator::SCIterator();
+ ++it)
+ {
+ SphereID sp = createSphere(*globalBodyStorage, *forest, storageID, 0, *it, real_t(1));
+
+ if (sp!=nullptr)
+ {
+ sp->setLinearVel( math::realRandom(real_t(-1), real_t(+1)),
+ math::realRandom(real_t(-1), real_t(+1)),
+ math::realRandom(real_t(-1), real_t(+1)));
+ ++numParticles;
+ }
+ }
+ mpi::reduceInplace(numParticles, mpi::SUM);
+ WALBERLA_LOG_INFO_ON_ROOT("#particles created: " << numParticles);
+
+ WALBERLA_LOG_INFO_ON_ROOT("*** SETUP - END ***");
+
+ // synchronize particles
+ //syncCallWithoutTT();
+ //syncCallWithoutTT();
+
+ WALBERLA_LOG_INFO_ON_ROOT("*** SIMULATION - START ***");
+ WALBERLA_MPI_BARRIER();
+ WcTimer timer;
+ for (int i=0; i < 1000; ++i)
+ {
+ WALBERLA_LOG_DEVEL(i);
+
+ for (auto& blk : *forest)
+ {
+ Storage* storage = blk.getData< Storage >( storageID );
+ BodyStorage& localStorage = (*storage)[0];
+
+ for (auto& bd1 : localStorage)
+ {
+ for (auto& bd2 : localStorage)
+ {
+ LJ(bd1, bd2);
+ }
+ }
+ const real_t coeff = real_t(0.2);
+ for (auto& bd : localStorage)
+ {
+ bd.addForce( -coeff*bd.getPosition() );
+ }
+ }
+
+ for (auto& blk : *forest)
+ {
+ Storage* storage = blk.getData< Storage >( storageID );
+ BodyStorage& localStorage = (*storage)[0];
+
+ for (auto& bd : localStorage)
+ {
+ integrate(bd);
+ }
+ }
+
+ vtkSphereOutput->write( );
+ //syncCallWithoutTT();
+ }
+ WALBERLA_MPI_BARRIER();
+ timer.end();
+ WALBERLA_LOG_INFO_ON_ROOT("runtime: " << timer.average());
+ WALBERLA_LOG_INFO_ON_ROOT("*** SIMULATION - END ***");
+ return EXIT_SUCCESS;
+}
+} // namespace walberla
+
+int main( int argc, char* argv[] )
+{
+ return walberla::main( argc, argv );
+}
diff --git a/apps/benchmarks/PeriodicGranularGas/upload.py b/apps/benchmarks/PeriodicGranularGas/upload.py
deleted file mode 100644
index 799476c1d..000000000
--- a/apps/benchmarks/PeriodicGranularGas/upload.py
+++ /dev/null
@@ -1,187 +0,0 @@
-import os
-import time
-import math
-import random
-import re
-from influxdb import InfluxDBClient
-from git import Repo
-
-
-def main():
- try:
- write_user_pw = os.environ["INFLUXDB_WRITE_USER"]
- except KeyError:
- import sys
- print('Password for the InfluxDB write_user was not set.\n',
- 'See https://docs.gitlab.com/ee/ci/variables/#secret-variables', file=sys.stderr)
- exc_info = sys.exc_info()
- raise exc_info[0].with_traceback(exc_info[1], exc_info[2])
-
- client = InfluxDBClient('i10grafana.informatik.uni-erlangen.de', 8086,
- 'pe', write_user_pw, 'pe')
-
- #repo = Repo(search_parent_directories=True)
- #commit = repo.head.commit
-
- with open("PeriodicGranularGas_DEM_NN.txt") as f:
- s = f.read()
- m = re.search('runtime: (\d*.\d*)', s)
-
- json_body = [
- {
- 'measurement': 'pe_benchmark',
- 'tags': {
- 'host' : os.uname()[1],
- 'image' : os.environ["DOCKER_IMAGE_NAME"],
- 'model' : 'DEM',
- 'friction': 'Coulomb',
- 'sync' : 'next neighbor'
- },
- 'time': int(time.time()),
- 'fields': {'runtime': float(m.group(1))}
- }
- ]
- print(float(m.group(1)))
- client.write_points(json_body, time_precision='s')
-
- #*************************************************
-
- with open("PeriodicGranularGas_DEM_SO.txt") as f:
- s = f.read()
- m = re.search('runtime: (\d*.\d*)', s)
-
- json_body = [
- {
- 'measurement': 'pe_benchmark',
- 'tags': {
- 'host' : os.uname()[1],
- 'image' : os.environ["DOCKER_IMAGE_NAME"],
- 'model' : 'DEM',
- 'friction': 'Coulomb',
- 'sync' : 'shadow owner'
- },
- 'time': int(time.time()),
- 'fields': {'runtime': float(m.group(1))}
- }
- ]
- print(float(m.group(1)))
- client.write_points(json_body, time_precision='s')
-
- #*************************************************
-
- with open("PeriodicGranularGas_HCSITS_NN_IFC.txt") as f:
- s = f.read()
- m = re.search('runtime: (\d*.\d*)', s)
-
- json_body = [
- {
- 'measurement': 'pe_benchmark',
- 'tags': {
- 'host' : os.uname()[1],
- 'image' : os.environ["DOCKER_IMAGE_NAME"],
- 'model' : 'HCSITS',
- 'friction': 'InelasticFrictionlessContact',
- 'sync' : 'next neighbor'
- },
- 'time': int(time.time()),
- 'fields': {'runtime': float(m.group(1))}
- }
- ]
- print(float(m.group(1)))
- client.write_points(json_body, time_precision='s')
-
- #*************************************************
-
- with open("PeriodicGranularGas_HCSITS_NN_AICCBD.txt") as f:
- s = f.read()
- m = re.search('runtime: (\d*.\d*)', s)
-
- json_body = [
- {
- 'measurement': 'pe_benchmark',
- 'tags': {
- 'host' : os.uname()[1],
- 'image' : os.environ["DOCKER_IMAGE_NAME"],
- 'model' : 'HCSITS',
- 'friction': 'ApproximateInelasticCoulombContactByDecoupling',
- 'sync' : 'next neighbor'
- },
- 'time': int(time.time()),
- 'fields': {'runtime': float(m.group(1))}
- }
- ]
- print(float(m.group(1)))
- client.write_points(json_body, time_precision='s')
-
- #*************************************************
-
- with open("PeriodicGranularGas_HCSITS_NN_ICCBD.txt") as f:
- s = f.read()
- m = re.search('runtime: (\d*.\d*)', s)
-
- json_body = [
- {
- 'measurement': 'pe_benchmark',
- 'tags': {
- 'host' : os.uname()[1],
- 'image' : os.environ["DOCKER_IMAGE_NAME"],
- 'model' : 'HCSITS',
- 'friction': 'InelasticCoulombContactByDecoupling',
- 'sync' : 'next neighbor'
- },
- 'time': int(time.time()),
- 'fields': {'runtime': float(m.group(1))}
- }
- ]
- print(float(m.group(1)))
- client.write_points(json_body, time_precision='s')
-
- #*************************************************
-
- with open("PeriodicGranularGas_HCSITS_NN_IGMDC.txt") as f:
- s = f.read()
- m = re.search('runtime: (\d*.\d*)', s)
-
- json_body = [
- {
- 'measurement': 'pe_benchmark',
- 'tags': {
- 'host' : os.uname()[1],
- 'image' : os.environ["DOCKER_IMAGE_NAME"],
- 'model' : 'HCSITS',
- 'friction': 'InelasticGeneralizedMaximumDissipationContact',
- 'sync' : 'next neighbor'
- },
- 'time': int(time.time()),
- 'fields': {'runtime': float(m.group(1))}
- }
- ]
- print(float(m.group(1)))
- client.write_points(json_body, time_precision='s')
-
- #*************************************************
-
- with open("PeriodicGranularGas_HCSITS_SO_IFC.txt") as f:
- s = f.read()
- m = re.search('runtime: (\d*.\d*)', s)
-
- json_body = [
- {
- 'measurement': 'pe_benchmark',
- 'tags': {
- 'host' : os.uname()[1],
- 'image' : os.environ["DOCKER_IMAGE_NAME"],
- 'model' : 'HCSITS',
- 'friction': 'InelasticFrictionlessContact',
- 'sync' : 'shadow owner'
- },
- 'time': int(time.time()),
- 'fields': {'runtime': float(m.group(1))}
- }
- ]
- print(float(m.group(1)))
- client.write_points(json_body, time_precision='s')
-
-
-if __name__ == "__main__":
- main()
diff --git a/apps/benchmarks/ProbeVsExtraMessage/ProbeVsExtraMessage.cpp b/apps/benchmarks/ProbeVsExtraMessage/ProbeVsExtraMessage.cpp
index 6fec0642e..7eb39be16 100644
--- a/apps/benchmarks/ProbeVsExtraMessage/ProbeVsExtraMessage.cpp
+++ b/apps/benchmarks/ProbeVsExtraMessage/ProbeVsExtraMessage.cpp
@@ -114,6 +114,11 @@ void communicate( MPIInfo& mpiInfo,
}
}
+std::string envToString(const char* env)
+{
+ return env != nullptr ? std::string(env) : "";
+}
+
int main( int argc, char ** argv )
{
mpi::Environment mpiEnv( argc, argv );
@@ -196,6 +201,19 @@ int main( int argc, char ** argv )
integerProperties["iterations"] = int64_c(iterations);
integerProperties["messageSize"] = int64_c(messageSize);
stringProperties["stencil"] = stencil;
+ stringProperties["SLURM_CLUSTER_NAME"] = envToString(std::getenv( "SLURM_CLUSTER_NAME" ));
+ stringProperties["SLURM_CPUS_ON_NODE"] = envToString(std::getenv( "SLURM_CPUS_ON_NODE" ));
+ stringProperties["SLURM_CPUS_PER_TASK"] = envToString(std::getenv( "SLURM_CPUS_PER_TASK" ));
+ stringProperties["SLURM_JOB_ACCOUNT"] = envToString(std::getenv( "SLURM_JOB_ACCOUNT" ));
+ stringProperties["SLURM_JOB_ID"] = envToString(std::getenv( "SLURM_JOB_ID" ));
+ stringProperties["SLURM_JOB_CPUS_PER_NODE"] = envToString(std::getenv( "SLURM_JOB_CPUS_PER_NODE" ));
+ stringProperties["SLURM_JOB_NAME"] = envToString(std::getenv( "SLURM_JOB_NAME" ));
+ stringProperties["SLURM_JOB_NUM_NODES"] = envToString(std::getenv( "SLURM_JOB_NUM_NODES" ));
+ stringProperties["SLURM_NTASKS"] = envToString(std::getenv( "SLURM_NTASKS" ));
+ stringProperties["SLURM_NTASKS_PER_CORE"] = envToString(std::getenv( "SLURM_NTASKS_PER_CORE" ));
+ stringProperties["SLURM_NTASKS_PER_NODE"] = envToString(std::getenv( "SLURM_NTASKS_PER_NODE" ));
+ stringProperties["SLURM_NTASKS_PER_SOCKET"] = envToString(std::getenv( "SLURM_NTASKS_PER_SOCKET" ));
+ stringProperties["SLURM_TASKS_PER_NODE"] = envToString(std::getenv( "SLURM_TASKS_PER_NODE" ));
auto runId = postprocessing::storeRunInSqliteDB( "ProbeVsTwoMessages.sqlite", integerProperties, stringProperties, realProperties );
postprocessing::storeTimingPoolInSqliteDB( "ProbeVsTwoMessages.sqlite", runId, tp, "Timings" );
diff --git a/apps/tutorials/CMakeLists.txt b/apps/tutorials/CMakeLists.txt
index 1a6e321a6..15689217a 100644
--- a/apps/tutorials/CMakeLists.txt
+++ b/apps/tutorials/CMakeLists.txt
@@ -1,5 +1,6 @@
add_subdirectory(basics)
add_subdirectory(cuda)
add_subdirectory(lbm)
+add_subdirectory(mesa_pd)
add_subdirectory(pde)
add_subdirectory(pe)
diff --git a/apps/tutorials/mesa_pd/01_LennardJones.cpp b/apps/tutorials/mesa_pd/01_LennardJones.cpp
new file mode 100644
index 000000000..eec37960f
--- /dev/null
+++ b/apps/tutorials/mesa_pd/01_LennardJones.cpp
@@ -0,0 +1,105 @@
+//======================================================================================================================
+//
+// This file is part of waLBerla. waLBerla is free software: you can
+// redistribute it and/or modify it under the terms of the GNU General Public
+// License as published by the Free Software Foundation, either version 3 of
+// the License, or (at your option) any later version.
+//
+// waLBerla is distributed in the hope that it will be useful, but WITHOUT
+// ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
+// FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License
+// for more details.
+//
+// You should have received a copy of the GNU General Public License along
+// with waLBerla (see COPYING.txt). If not, see <http://www.gnu.org/licenses/>.
+//
+//! \file 01_LennardJones.cpp
+//! \author Sebastian Eibl <sebastian.eibl@fau.de>
+//
+//======================================================================================================================
+
+#include <mesa_pd/vtk/ParticleVtkOutput.h>
+
+#include <mesa_pd/data/LinkedCells.h>
+#include <mesa_pd/data/ParticleAccessor.h>
+#include <mesa_pd/data/ParticleStorage.h>
+
+#include <mesa_pd/kernel/DoubleCast.h>
+#include <mesa_pd/kernel/ExplicitEuler.h>
+#include <mesa_pd/kernel/ForceLJ.h>
+#include <mesa_pd/kernel/InsertParticleIntoLinkedCells.h>
+#include <mesa_pd/kernel/ParticleSelector.h>
+#include <mesa_pd/kernel/VelocityVerlet.h>
+
+#include <core/Environment.h>
+#include <core/grid_generator/SCIterator.h>
+#include <core/logging/Logging.h>
+#include <core/math/Random.h>
+#include <vtk/VTKOutput.h>
+
+#include <iostream>
+#include <memory>
+
+using namespace walberla;
+using namespace walberla::mesa_pd;
+
+int main( int argc, char ** argv )
+{
+ Environment env(argc, argv);
+ WALBERLA_UNUSED(env);
+ mpi::MPIManager::instance()->useWorldComm();
+
+ //domain setup
+ const real_t spacing = real_t(1.0);
+ math::AABB domain( Vec3(real_t(-0.5), real_t(-0.5), real_t(-0.5)),
+ Vec3(real_t(+0.5), real_t(+0.5), real_t(+0.5)));
+ domain.scale(real_t(20));
+
+ //init data structures
+ auto storage = std::make_shared<data::ParticleStorage> (100);
+ data::LinkedCells linkedCells(domain.getScaled(2), real_t(1));
+ data::ParticleAccessor ac(storage);
+
+ //initialize particles
+ for (auto it = grid_generator::SCIterator(domain, Vec3(spacing, spacing, spacing) * real_c(0.5), spacing);
+ it != grid_generator::SCIterator();
+ ++it)
+ {
+ data::Particle&& p = *storage->create();
+ p.getPositionRef() = (*it);
+
+ p.getLinearVelocityRef() = Vec3(math::realRandom(real_t(-1), real_t(+1)),
+ math::realRandom(real_t(-1), real_t(+1)),
+ math::realRandom(real_t(-1), real_t(+1)));
+ }
+
+ auto vtkOutput = make_shared<mesa_pd::vtk::ParticleVtkOutput>(storage) ;
+ auto vtkWriter = walberla::vtk::createVTKOutput_PointData(vtkOutput, "Bodies", 1, "vtk", "simulation_step", false, false);
+
+ // Init kernels
+ kernel::ForceLJ lj(1);
+ lj.setSigma(0,0,real_t(1));
+ lj.setEpsilon(0,0,real_t(1));
+ kernel::InsertParticleIntoLinkedCells ipilc;
+ kernel::VelocityVerletPreForceUpdate vvPreForce( real_t(0.01) );
+ kernel::VelocityVerletPostForceUpdate vvPostForce( real_t(0.01) );
+
+ for (auto timestep = 0; timestep < 1000; ++timestep)
+ {
+ WALBERLA_LOG_DEVEL(timestep);
+ linkedCells.clear();
+ storage->forEachParticle(true, kernel::SelectAll(), ac, ipilc, ac, linkedCells);
+ storage->forEachParticle(true, kernel::SelectAll(), ac, vvPreForce, ac);
+ linkedCells.forEachParticlePairHalf(true, kernel::SelectAll(), ac, lj, ac);
+ const real_t coeff = real_t(0.2);
+ storage->forEachParticle(true,
+ kernel::SelectAll(),
+ ac,
+ [coeff](const size_t idx, auto& access){ access.setForce(idx, -coeff*access.getPosition(idx) + access.getForce(idx)); },
+ ac);
+ storage->forEachParticle(true, kernel::SelectAll(), ac, vvPostForce, ac);
+ vtkWriter->write();
+ }
+
+ return EXIT_SUCCESS;
+}
diff --git a/apps/tutorials/mesa_pd/CMakeLists.txt b/apps/tutorials/mesa_pd/CMakeLists.txt
new file mode 100644
index 000000000..e74127bea
--- /dev/null
+++ b/apps/tutorials/mesa_pd/CMakeLists.txt
@@ -0,0 +1,5 @@
+waLBerla_link_files_to_builddir( *.cfg )
+
+waLBerla_add_executable ( NAME 01_LennardJones
+ FILES 01_LennardJones.cpp
+ DEPENDS core mesa_pd )
diff --git a/apps/tutorials/mesa_pd/GranularGas.cfg b/apps/tutorials/mesa_pd/GranularGas.cfg
new file mode 100644
index 000000000..ce31c4b5c
--- /dev/null
+++ b/apps/tutorials/mesa_pd/GranularGas.cfg
@@ -0,0 +1,14 @@
+GranularGas
+{
+ simulationCorner < 0, 0, 0 >;
+ simulationDomain < 40, 40, 40 >;
+ blocks < 1,1,1 >;
+ isPeriodic < 0, 0, 0 >;
+
+ radius 0.6;
+ spacing 1.0;
+
+ dt 0.0001;
+ simulationSteps 1000;
+ visSpacing 100;
+}
diff --git a/python/mesa_pd.py b/python/mesa_pd.py
new file mode 100755
index 000000000..3f8c8a002
--- /dev/null
+++ b/python/mesa_pd.py
@@ -0,0 +1,101 @@
+#! /usr/bin/env python3
+# -*- coding: utf-8 -*-
+
+from mesa_pd.accessor import Accessor
+import mesa_pd.data as data
+import mesa_pd.kernel as kernel
+import mesa_pd.mpi as mpi
+
+import argparse
+import numpy as np
+import os
+
+if __name__ == '__main__':
+ parser = argparse.ArgumentParser(description='Generate all necessary files for the waLBerla mesa_pd module.')
+ parser.add_argument('path', help='Where should the files be created?')
+ parser.add_argument("-f", "--force", help="Generate the files even if not inside a waLBerla directory.",
+ action="store_true")
+ args = parser.parse_args()
+
+ if ((not os.path.isfile(args.path + "/src/walberla.h")) and (not args.force)):
+ raise RuntimeError(args.path + " is not the path to a waLBerla root directory! Specify -f to generate the files anyway.")
+
+ os.makedirs(args.path + "/src/mesa_pd/common", exist_ok = True)
+ os.makedirs(args.path + "/src/mesa_pd/data", exist_ok = True)
+ os.makedirs(args.path + "/src/mesa_pd/domain", exist_ok = True)
+ os.makedirs(args.path + "/src/mesa_pd/kernel", exist_ok = True)
+ os.makedirs(args.path + "/src/mesa_pd/mpi/notifications", exist_ok = True)
+ os.makedirs(args.path + "/src/mesa_pd/vtk", exist_ok = True)
+
+ shapes = ["Sphere", "HalfSpace"]
+
+ ps = data.ParticleStorage()
+ ch = data.ContactHistory()
+ lc = data.LinkedCells()
+ ss = data.ShapeStorage(ps, shapes)
+
+ ps.addProperty("position", "walberla::mesa_pd::Vec3", defValue="real_t(0)", syncMode="ALWAYS")
+ ps.addProperty("linearVelocity", "walberla::mesa_pd::Vec3", defValue="real_t(0)", syncMode="ALWAYS")
+ ps.addProperty("invMass", "walberla::real_t", defValue="real_t(1)", syncMode="COPY")
+ ps.addProperty("force", "walberla::mesa_pd::Vec3", defValue="real_t(0)", syncMode="NEVER")
+ ps.addProperty("oldForce", "walberla::mesa_pd::Vec3", defValue="real_t(0)", syncMode="MIGRATION")
+
+ ps.addProperty("shapeID", "size_t", defValue="", syncMode="COPY")
+ ps.addProperty("rotation", "walberla::mesa_pd::Rot3", defValue="", syncMode="ALWAYS")
+ ps.addProperty("angularVelocity", "walberla::mesa_pd::Vec3", defValue="real_t(0)", syncMode="ALWAYS")
+ ps.addProperty("torque", "walberla::mesa_pd::Vec3", defValue="real_t(0)", syncMode="NEVER")
+ ps.addProperty("oldTorque", "walberla::mesa_pd::Vec3", defValue="real_t(0)", syncMode="MIGRATION")
+
+ ps.addProperty("type", "uint_t", defValue="0", syncMode="COPY")
+
+ ps.addProperty("flags", "walberla::mesa_pd::data::particle_flags::FlagT", defValue="", syncMode="COPY")
+ ps.addProperty("nextParticle", "int", defValue="-1", syncMode="NEVER")
+
+ ps.addProperty("oldContactHistory", "std::map<walberla::id_t, walberla::mesa_pd::data::ContactHistory>", defValue="", syncMode="ALWAYS")
+ ps.addProperty("newContactHistory", "std::map<walberla::id_t, walberla::mesa_pd::data::ContactHistory>", defValue="", syncMode="NEVER")
+
+ ps.addProperty("temperature", "walberla::real_t", defValue="real_t(0)", syncMode="ALWAYS")
+ ps.addProperty("heatFlux", "walberla::real_t", defValue="real_t(0)", syncMode="NEVER")
+
+ ch.addProperty("tangentialSpringDisplacement", "walberla::mesa_pd::Vec3", defValue="real_t(0)")
+ ch.addProperty("isSticking", "bool", defValue="false")
+ ch.addProperty("impactVelocityMagnitude", "real_t", defValue="real_t(0)")
+
+ kernels = []
+ kernels.append( kernel.DoubleCast(shapes) )
+ kernels.append( kernel.ExplicitEuler() )
+ kernels.append( kernel.ExplicitEulerWithShape() )
+ kernels.append( kernel.ForceLJ() )
+ kernels.append( kernel.HeatConduction() )
+ kernels.append( kernel.InsertParticleIntoLinkedCells() )
+ kernels.append( kernel.LinearSpringDashpot() )
+ kernels.append( kernel.NonLinearSpringDashpot() )
+ kernels.append( kernel.SingleCast(shapes) )
+ kernels.append( kernel.SpringDashpot() )
+ kernels.append( kernel.TemperatureIntegration() )
+ kernels.append( kernel.VelocityVerlet() )
+ kernels.append( kernel.VelocityVerletWithShape() )
+
+ ac = Accessor()
+ for k in kernels:
+ ac.mergeRequirements(k.getRequirements())
+ ac.printSummary()
+
+ comm = []
+ comm.append(mpi.BroadcastProperty())
+ comm.append(mpi.ClearNextNeighborSync())
+ comm.append(mpi.ReduceContactHistory())
+ comm.append(mpi.ReduceProperty())
+ comm.append(mpi.SyncNextNeighbors(ps))
+
+
+ ps.generate(args.path + "/src/mesa_pd/")
+ ch.generate(args.path + "/src/mesa_pd/")
+ lc.generate(args.path + "/src/mesa_pd/")
+ ss.generate(args.path + "/src/mesa_pd/")
+
+ for k in kernels:
+ k.generate(args.path + "/src/mesa_pd/")
+
+ for c in comm:
+ c.generate(args.path + "/src/mesa_pd/")
diff --git a/python/mesa_pd/Container.py b/python/mesa_pd/Container.py
new file mode 100644
index 000000000..3acd960e6
--- /dev/null
+++ b/python/mesa_pd/Container.py
@@ -0,0 +1,32 @@
+# -*- coding: utf-8 -*-
+
+from .Property import Property, unrollDimension
+from .utility import find, TerminalColor
+
+class Container:
+ def __init__(self):
+ """Base class for a container which manages includes and properties
+ """
+
+ self.properties = []
+ self.includes = []
+
+ def addProperty(self, name, type, access="grs", defValue="", syncMode = "ALWAYS", dim=1):
+ prop = find( lambda x : x.name == name, self.properties )
+ if (prop == None):
+ #print(TerminalColor.GREEN + "creating particle property: {}".format(name) + TerminalColor.DEFAULT)
+ self.properties.append( Property(name, type, access=access, defValue=defValue, syncMode=syncMode, dim=dim) )
+ else:
+ if not (prop.type == type and prop.name == name and prop.defValue == defValue and prop.dim == dim):
+ raise RuntimeError(TerminalColor.RED + "property definition differs from previous one:\nPREVIOUS {}\nNEW {}".format(prop, Property(name, type, defValue=defValue, syncMode=syncMode, dim=dim)) + TerminalColor.DEFAULT)
+ print(TerminalColor.YELLOW + "reusing particle property: {}".format(name) + TerminalColor.DEFAULT)
+
+ def addInclude(self, include):
+ if (include in self.includes):
+ print(TerminalColor.YELLOW + "reusing particle include: {}".format(include) + TerminalColor.DEFAULT)
+ else:
+ #print(TerminalColor.GREEN + "creating particle include: {}".format(include) + TerminalColor.DEFAULT)
+ self.includes.append(include)
+
+ def unrollDimension(self):
+ self.properties = unrollDimension(self.properties)
diff --git a/python/mesa_pd/Property.py b/python/mesa_pd/Property.py
new file mode 100644
index 000000000..20b3bc8d7
--- /dev/null
+++ b/python/mesa_pd/Property.py
@@ -0,0 +1,91 @@
+# -*- coding: utf-8 -*-
+
+from .utility import TerminalColor
+
+class Property:
+ def __init__(self, name, type, access="grs", defValue="", syncMode = "ALWAYS", dim=1):
+ """Propery of a data strcuture
+
+ Parameters
+ ----------
+ name : str
+ name of the property
+ type : str
+ type of the property
+ access : str
+ 'g' for getter (getName)
+ 'r' for reference (getNameRef)
+ 's' for setter (setName)
+ any combination is possible
+ defValue : str
+ default value the property should be initialized with
+ syncMode : str
+ 'NEVER', this property does not have to be synced
+ 'COPY', this property must be synced on creation
+ 'MIGRATION', this property must be synced when the ownership changes
+ 'ALWAYS', this property has to be synced in every iteration
+ dim : int
+ dimensions of the property
+ """
+
+ #sort access specifier and remove duplicates
+ foo = "".join(sorted(access))
+ access = ''.join([foo[i] for i in range(len(foo)-1) if foo[i+1]!= foo[i]]+[foo[-1]])
+
+ for acc in access:
+ if not (acc in ["g","s","r"]):
+ raise RuntimeError("{} is not a valid access specifier in {}".format(acc, access))
+
+ if (not syncMode in ["NEVER", "COPY", "MIGRATION", "ALWAYS"]):
+ raise RuntimeError(TerminalColor.RED + "{} is no valid sync for property: {}".format(syncMode, name) + TerminalColor.DEFAULT)
+
+ if (dim < 1):
+ raise RuntimeError(TerminalColor.RED + "dimension has to be >=1: {}".format(dim) + TerminalColor.DEFAULT)
+
+ self.name = name
+ self.type = type
+ self.access = access
+ self.defValue = defValue
+ self.syncMode = syncMode
+ self.dim = dim
+
+ def __str__(self):
+ return "name: {}, type: {}, access: {}, defValue: {}, syncMode: {}, dim: {}".format(self.name, self.type, self.access, self.defValue, self.syncMode, self.dim)
+
+ def getAccessFunction(self):
+ """Returns a list of accessor function names
+ """
+
+ funcs = []
+ if 'g' in self.access:
+ funcs.append("get" + self.name.capitalize())
+ if 's' in self.access:
+ funcs.append("set" + self.name.capitalize())
+ if 'r' in self.access:
+ funcs.append("get" + self.name.capitalize() + "Ref")
+ return funcs
+
+def unrollDimension(props):
+ """Unrolls all more dimensional properties into one dimensional properties
+
+ Iterates over all elements. Copies all one dimensional properties.
+ More dimensional properties get split into one dimensional properties with added suffix.
+
+ Parameters
+ ----------
+ props : list
+ list of properties to be unrolled
+
+ Returns
+ -------
+ list of unrolled properties
+ """
+
+ unrolled = []
+ for prop in props:
+ if (prop.dim == 1):
+ unrolled.append(Property(prop.name, prop.type, prop.access, prop.defValue, prop.syncMode, prop.dim))
+ else:
+ for d in range(prop.dim):
+ unrolled.append(Property("{}{}".format(prop.name,d), prop.type, prop.access, prop.defValue, prop.syncMode, 1))
+ return unrolled
diff --git a/python/mesa_pd/__init__.py b/python/mesa_pd/__init__.py
new file mode 100644
index 000000000..e69de29bb
diff --git a/python/mesa_pd/accessor/Accessor.py b/python/mesa_pd/accessor/Accessor.py
new file mode 100644
index 000000000..288ff22e4
--- /dev/null
+++ b/python/mesa_pd/accessor/Accessor.py
@@ -0,0 +1,53 @@
+# -*- coding: utf-8 -*-
+
+from ..Property import Property
+from ..utility import find, TerminalColor, generateFile
+
+class Accessor:
+ def __init__(self):
+ self.properties = []
+
+ def require(self, name, type, access):
+ """requires that a certain property is accessible
+
+ Parameters
+ ----------
+ name : str
+ name of the property requested
+ type : str
+ type of the requested property
+ access : str
+ 'g' for getter (getName)
+ 'r' for reference (getNameRef)
+ 's' for setter (setName)
+ any combination is possible
+
+ Example
+ -------
+ require("position", "walberla::mesa_pd::Vec3", "sg")
+ """
+
+ prop = find( lambda x : x.name == name, self.properties )
+ if (prop == None):
+ #print(TerminalColor.GREEN + "[{}] creating particle property: {}".format(info, name) + TerminalColor.DEFAULT)
+ self.properties.append( Property(name, type, access = access) )
+ else:
+ if not (prop.type == type):
+ raise RuntimeError(TerminalColor.RED + "requirement definition differs from previous one:\n{} {}\n{} {}".format(name, type, prop.name, prop.type) + TerminalColor.DEFAULT)
+ foo = "".join(sorted(access + prop.access))
+ prop.access = ''.join([foo[i] for i in range(len(foo)-1) if foo[i+1]!= foo[i]]+[foo[-1]])
+
+
+ def mergeRequirements(self, accessor):
+ for req in accessor.properties:
+ self.require( req.name, req.type, req.access )
+
+ def printSummary(self):
+ print("="*90)
+ print("Requirements for Accessor:")
+ print("")
+ print("{0: <30}{1: <30}{2: <30}".format("Name", "Type", "Access"))
+ print("="*90)
+ for gs in self.properties:
+ print("{0: <30.29}{1: <30.29}{2: <30.29}".format(gs.name, gs.type, gs.access))
+ print("="*90)
diff --git a/python/mesa_pd/accessor/__init__.py b/python/mesa_pd/accessor/__init__.py
new file mode 100644
index 000000000..6e15afb2c
--- /dev/null
+++ b/python/mesa_pd/accessor/__init__.py
@@ -0,0 +1,5 @@
+# -*- coding: utf-8 -*-
+
+from .Accessor import Accessor
+
+__all__ = ['Accessor']
diff --git a/python/mesa_pd/data/ContactHistory.py b/python/mesa_pd/data/ContactHistory.py
new file mode 100644
index 000000000..444da6bfc
--- /dev/null
+++ b/python/mesa_pd/data/ContactHistory.py
@@ -0,0 +1,28 @@
+# -*- coding: utf-8 -*-
+
+import numpy as np
+from ..Container import Container
+from ..utility import generateFile
+
+class ContactHistory(Container):
+ def __init__(self):
+ super().__init__()
+
+ def generate(self, path):
+ self.unrollDimension()
+
+ print("="*90)
+ print("Creating ContactHistory Datastructure:")
+ print("")
+ print("{0: <20}{1: <30}{2: <20}{3: <10}".format("Type", "Name", "Def. Value", "SyncMode"))
+ print("="*90)
+ for prop in self.properties:
+ print("{0: <20.19}{1: <30.29}{2: <20.19}{3: <10.9}".format(prop.type, prop.name, prop.defValue, prop.syncMode))
+ print("="*90)
+
+ context = dict()
+ context["includes"] = self.includes
+ context["properties"] = self.properties
+
+ generateFile(path, 'data/ContactHistory.templ.h', context, filename='data/ContactHistory.h')
+ generateFile(path, 'mpi/notifications/ContactHistoryNotification.templ.h', context)
diff --git a/python/mesa_pd/data/LinkedCells.py b/python/mesa_pd/data/LinkedCells.py
new file mode 100644
index 000000000..60ea2ec83
--- /dev/null
+++ b/python/mesa_pd/data/LinkedCells.py
@@ -0,0 +1,8 @@
+# -*- coding: utf-8 -*-
+
+import numpy as np
+from ..utility import generateFile
+
+class LinkedCells:
+ def generate(self, path):
+ generateFile(path, 'data/LinkedCells.templ.h')
diff --git a/python/mesa_pd/data/ParticleStorage.py b/python/mesa_pd/data/ParticleStorage.py
new file mode 100644
index 000000000..e4efc9999
--- /dev/null
+++ b/python/mesa_pd/data/ParticleStorage.py
@@ -0,0 +1,46 @@
+# -*- coding: utf-8 -*-
+
+import numpy as np
+from ..Container import Container
+from ..utility import generateFile
+
+class ParticleStorage(Container):
+ def __init__(self):
+ super().__init__()
+
+ self.addInclude("mesa_pd/data/Flags.h")
+
+ self.addProperty("uid", "walberla::id_t", defValue = "UniqueID<data::Particle>::invalidID()", syncMode="ALWAYS")
+ self.addProperty("position", "walberla::mesa_pd::Vec3", defValue = "real_t(0)", syncMode="ALWAYS")
+ self.addProperty("interactionRadius", "walberla::real_t", defValue = "real_t(0)", syncMode="COPY")
+ self.addProperty("flags", "walberla::mesa_pd::data::particle_flags::FlagT", defValue = "", syncMode="COPY")
+ self.addProperty("owner", "int", defValue = "-1", syncMode="COPY")
+ self.addProperty("ghostOwners", "std::vector<int>", defValue = "", syncMode="MIGRATION")
+
+ def generate(self, path):
+ self.unrollDimension()
+
+ print("="*90)
+ print("Creating Particle Datastructure:")
+ print("")
+ print("{0: <20}{1: <30}{2: <20}{3: <10}".format("Type", "Name", "Def. Value", "SyncMode"))
+ print("="*90)
+ for prop in self.properties:
+ print("{0: <20.19}{1: <30.29}{2: <20.19}{3: <10.9}".format(prop.type, prop.name, prop.defValue, prop.syncMode))
+ print("="*90)
+
+ context = dict()
+ context["includes"] = self.includes
+ context["properties"] = self.properties
+
+ generateFile(path, 'data/ParticleStorage.templ.h', context, filename='data/ParticleStorage.h')
+ generateFile(path, 'data/ParticleAccessor.templ.h', context, filename='data/ParticleAccessor.h')
+
+ generateFile(path, 'mpi/notifications/ForceTorqueNotification.templ.h', context)
+ generateFile(path, 'mpi/notifications/HeatFluxNotification.templ.h', context)
+ generateFile(path, 'mpi/notifications/ParseMessage.templ.h', context)
+ generateFile(path, 'mpi/notifications/ParticleCopyNotification.templ.h', context)
+ generateFile(path, 'mpi/notifications/ParticleMigrationNotification.templ.h', context)
+ generateFile(path, 'mpi/notifications/ParticleRemoteMigrationNotification.templ.h', context)
+ generateFile(path, 'mpi/notifications/ParticleRemovalNotification.templ.h', context)
+ generateFile(path, 'mpi/notifications/ParticleUpdateNotification.templ.h', context)
diff --git a/python/mesa_pd/data/ShapeStorage.py b/python/mesa_pd/data/ShapeStorage.py
new file mode 100644
index 000000000..f299b89d3
--- /dev/null
+++ b/python/mesa_pd/data/ShapeStorage.py
@@ -0,0 +1,19 @@
+# -*- coding: utf-8 -*-
+
+import numpy as np
+from ..utility import generateFile
+
+class ShapeStorage:
+ def __init__(self, p, shapes):
+ p.addProperty("shapeID", "size_t", defValue="", syncMode="COPY")
+ p.addProperty("rotation", "walberla::mesa_pd::Rot3", defValue="", syncMode="ALWAYS")
+ p.addProperty("angularVelocity", "walberla::mesa_pd::Vec3", defValue="real_t(0)", syncMode="ALWAYS")
+ p.addProperty("torque", "walberla::mesa_pd::Vec3", defValue="real_t(0)", syncMode="NEVER")
+
+ self.shapes = shapes
+
+ def generate(self, path):
+ context = dict()
+ context["shapes"] = self.shapes
+
+ generateFile(path, 'data/ShapeStorage.templ.h', context)
diff --git a/python/mesa_pd/data/__init__.py b/python/mesa_pd/data/__init__.py
new file mode 100644
index 000000000..5ded7c99e
--- /dev/null
+++ b/python/mesa_pd/data/__init__.py
@@ -0,0 +1,11 @@
+# -*- coding: utf-8 -*-
+
+from .ContactHistory import ContactHistory
+from .LinkedCells import LinkedCells
+from .ParticleStorage import ParticleStorage
+from .ShapeStorage import ShapeStorage
+
+__all__ = ['ContactHistory',
+ 'GeometryStorage',
+ 'LinkedCells',
+ 'ParticleStorage']
diff --git a/python/mesa_pd/kernel/DoubleCast.py b/python/mesa_pd/kernel/DoubleCast.py
new file mode 100644
index 000000000..4d132f79a
--- /dev/null
+++ b/python/mesa_pd/kernel/DoubleCast.py
@@ -0,0 +1,19 @@
+# -*- coding: utf-8 -*-
+
+from mesa_pd.accessor import Accessor
+from mesa_pd.utility import generateFile
+
+class DoubleCast:
+ def __init__(self, shapes):
+ self.shapes = shapes
+ self.accessor = Accessor()
+ self.accessor.require("shape", "BaseShape*", access="g")
+
+ def getRequirements(self):
+ return self.accessor
+
+ def generate(self, path):
+ context = dict()
+ context["interface"] = self.accessor.properties
+ context["shapes"] = self.shapes
+ generateFile(path, 'kernel/DoubleCast.templ.h', context)
diff --git a/python/mesa_pd/kernel/ExplicitEuler.py b/python/mesa_pd/kernel/ExplicitEuler.py
new file mode 100644
index 000000000..a610c7c27
--- /dev/null
+++ b/python/mesa_pd/kernel/ExplicitEuler.py
@@ -0,0 +1,26 @@
+# -*- coding: utf-8 -*-
+
+from mesa_pd.accessor import Accessor
+from mesa_pd.utility import generateFile
+
+class ExplicitEuler:
+ def __init__(self):
+ self.accessor = Accessor()
+ self.accessor.require("position", "walberla::mesa_pd::Vec3", access="gs")
+ self.accessor.require("linearVelocity", "walberla::mesa_pd::Vec3", access="gs")
+ self.accessor.require("invMass", "walberla::real_t", access="g" )
+ self.accessor.require("force", "walberla::mesa_pd::Vec3", access="gs" )
+ self.accessor.require("flags", "walberla::mesa_pd::data::particle_flags::FlagT", access="g")
+
+ def getRequirements(self):
+ return self.accessor
+
+ def generate(self, path):
+ context = dict()
+ context["interface"] = self.accessor.properties
+ generateFile(path, 'kernel/ExplicitEuler.templ.h', context)
+
+ context["InterfaceTestName"] = "ExplicitEulerInterfaceCheck"
+ context["KernelInclude"] = "kernel/ExplicitEuler.h"
+ context["ExplicitInstantiation"] = "template void kernel::ExplicitEuler::operator()(const size_t p_idx1, Accessor& ac) const;"
+ generateFile(path, 'tests/CheckInterface.templ.cpp', context, '../../tests/mesa_pd/kernel/interfaces/ExplicitEulerInterfaceCheck.cpp')
diff --git a/python/mesa_pd/kernel/ExplicitEulerWithShape.py b/python/mesa_pd/kernel/ExplicitEulerWithShape.py
new file mode 100644
index 000000000..cdedaa242
--- /dev/null
+++ b/python/mesa_pd/kernel/ExplicitEulerWithShape.py
@@ -0,0 +1,30 @@
+# -*- coding: utf-8 -*-
+
+from mesa_pd.accessor import Accessor
+from mesa_pd.utility import generateFile
+
+class ExplicitEulerWithShape:
+ def __init__(self):
+ self.accessor = Accessor()
+ self.accessor.require("position", "walberla::mesa_pd::Vec3", access="gs")
+ self.accessor.require("linearVelocity", "walberla::mesa_pd::Vec3", access="gs")
+ self.accessor.require("invMass", "walberla::real_t", access="g" )
+ self.accessor.require("force", "walberla::mesa_pd::Vec3", access="gs" )
+ self.accessor.require("rotation", "walberla::mesa_pd::Rot3", access="gs")
+ self.accessor.require("angularVelocity", "walberla::mesa_pd::Vec3", access="gs")
+ self.accessor.require("invInertiaBF", "walberla::mesa_pd::Mat3", access="g" )
+ self.accessor.require("torque", "walberla::mesa_pd::Vec3", access="gs" )
+ self.accessor.require("flags", "walberla::mesa_pd::data::particle_flags::FlagT", access="g")
+
+ def getRequirements(self):
+ return self.accessor
+
+ def generate(self, path):
+ context = dict()
+ context["interface"] = self.accessor.properties
+ generateFile(path, 'kernel/ExplicitEulerWithShape.templ.h', context)
+
+ context["InterfaceTestName"] = "ExplicitEulerWithShapeInterfaceCheck"
+ context["KernelInclude"] = "kernel/ExplicitEulerWithShape.h"
+ context["ExplicitInstantiation"] = "template void kernel::ExplicitEulerWithShape::operator()(const size_t p_idx1, Accessor& ac) const;"
+ generateFile(path, 'tests/CheckInterface.templ.cpp', context, '../../tests/mesa_pd/kernel/interfaces/ExplicitEulerWithShapeInterfaceCheck.cpp')
diff --git a/python/mesa_pd/kernel/ForceLJ.py b/python/mesa_pd/kernel/ForceLJ.py
new file mode 100644
index 000000000..4af22f77b
--- /dev/null
+++ b/python/mesa_pd/kernel/ForceLJ.py
@@ -0,0 +1,26 @@
+# -*- coding: utf-8 -*-
+
+from mesa_pd.accessor import Accessor
+from mesa_pd.utility import generateFile
+
+class ForceLJ:
+ def __init__(self):
+ self.accessor = Accessor()
+ self.accessor.require("position", "walberla::mesa_pd::Vec3", access="g")
+ self.accessor.require("force", "walberla::mesa_pd::Vec3", access="r" )
+ self.accessor.require("type", "uint_t", access="g")
+
+ def getRequirements(self):
+ return self.accessor
+
+ def generate(self, path):
+ context = dict()
+ context["parameters"] = ["epsilon", "sigma"]
+ context["interface"] = self.accessor.properties
+
+ generateFile(path, 'kernel/ForceLJ.templ.h', context)
+
+ context["InterfaceTestName"] = "ForceLJInterfaceCheck"
+ context["KernelInclude"] = "kernel/ForceLJ.h"
+ context["ExplicitInstantiation"] = "template void kernel::ForceLJ::operator()(const size_t p_idx1, const size_t p_idx2, Accessor& ac) const;"
+ generateFile(path, 'tests/CheckInterface.templ.cpp', context, '../../tests/mesa_pd/kernel/interfaces/ForceLJInterfaceCheck.cpp')
diff --git a/python/mesa_pd/kernel/HeatConduction.py b/python/mesa_pd/kernel/HeatConduction.py
new file mode 100644
index 000000000..2a6f31337
--- /dev/null
+++ b/python/mesa_pd/kernel/HeatConduction.py
@@ -0,0 +1,26 @@
+# -*- coding: utf-8 -*-
+
+from mesa_pd.accessor import Accessor
+from mesa_pd.utility import generateFile, checkInterface
+
+class HeatConduction:
+ def __init__(self):
+ self.accessor = Accessor()
+ self.accessor.require("temperature", "walberla::real_t", access="g")
+ self.accessor.require("heatFlux", "walberla::real_t", access="gsr")
+ self.accessor.require("type", "uint_t", access="g")
+
+ def getRequirements(self):
+ return self.accessor
+
+ def generate(self, path):
+ context = dict()
+ context["parameters"] = ["conductance"]
+ context["interface"] = self.accessor.properties
+
+ generateFile(path, 'kernel/HeatConduction.templ.h', context)
+
+ context["InterfaceTestName"] = "HeatConductionInterfaceCheck"
+ context["KernelInclude"] = "kernel/HeatConduction.h"
+ context["ExplicitInstantiation"] = "template void kernel::HeatConduction::operator()(const size_t p_idx1, const size_t p_idx2, Accessor& ac) const;"
+ generateFile(path, 'tests/CheckInterface.templ.cpp', context, '../../tests/mesa_pd/kernel/interfaces/HeatConductionInterfaceCheck.cpp')
diff --git a/python/mesa_pd/kernel/InsertParticleIntoLinkedCells.py b/python/mesa_pd/kernel/InsertParticleIntoLinkedCells.py
new file mode 100644
index 000000000..794fab1df
--- /dev/null
+++ b/python/mesa_pd/kernel/InsertParticleIntoLinkedCells.py
@@ -0,0 +1,19 @@
+# -*- coding: utf-8 -*-
+
+from mesa_pd.accessor import Accessor
+from mesa_pd.utility import generateFile
+
+class InsertParticleIntoLinkedCells:
+ def __init__(self):
+ self.accessor = Accessor()
+ self.accessor.require("position", "walberla::mesa_pd::Vec3", access="g")
+ self.accessor.require("flags", "walberla::mesa_pd::data::particle_flags::FlagT", access="g")
+ self.accessor.require("nextParticle", "size_t", access="gs" )
+
+ def getRequirements(self):
+ return self.accessor
+
+ def generate(self, path):
+ context = dict()
+ context["interface"] = self.accessor.properties
+ generateFile(path, 'kernel/InsertParticleIntoLinkedCells.templ.h', context)
diff --git a/python/mesa_pd/kernel/LinearSpringDashpot.py b/python/mesa_pd/kernel/LinearSpringDashpot.py
new file mode 100644
index 000000000..430a58dc6
--- /dev/null
+++ b/python/mesa_pd/kernel/LinearSpringDashpot.py
@@ -0,0 +1,26 @@
+# -*- coding: utf-8 -*-
+
+from mesa_pd.accessor import Accessor
+from mesa_pd.utility import generateFile
+
+class LinearSpringDashpot:
+ def __init__(self):
+ self.accessor = Accessor()
+ self.accessor.require("uid", "walberla::id_t", access="g")
+ self.accessor.require("position", "walberla::mesa_pd::Vec3", access="g")
+ self.accessor.require("linearVelocity", "walberla::mesa_pd::Vec3", access="g")
+ self.accessor.require("force", "walberla::mesa_pd::Vec3", access="r" )
+ self.accessor.require("angularVelocity", "walberla::mesa_pd::Vec3", access="g")
+ self.accessor.require("torque", "walberla::mesa_pd::Vec3", access="r" )
+ self.accessor.require("type", "uint_t", access="g")
+ self.accessor.require("contactHistory", "std::map<walberla::id_t, walberla::mesa_pd::Vec3>", access="gs")
+
+ def getRequirements(self):
+ return self.accessor
+
+ def generate(self, path):
+ context = dict()
+ context["parameters"] = ["stiffnessN", "stiffnessT", "dampingN", "dampingT", "frictionCoefficientStatic", "frictionCoefficientDynamic"]
+ context["interface"] = self.accessor.properties
+
+ generateFile(path, 'kernel/LinearSpringDashpot.templ.h', context)
diff --git a/python/mesa_pd/kernel/NonLinearSpringDashpot.py b/python/mesa_pd/kernel/NonLinearSpringDashpot.py
new file mode 100644
index 000000000..490d05ff5
--- /dev/null
+++ b/python/mesa_pd/kernel/NonLinearSpringDashpot.py
@@ -0,0 +1,26 @@
+# -*- coding: utf-8 -*-
+
+from mesa_pd.accessor import Accessor
+from mesa_pd.utility import generateFile
+
+class NonLinearSpringDashpot:
+ def __init__(self):
+ self.accessor = Accessor()
+ self.accessor.require("uid", "walberla::id_t", access="g")
+ self.accessor.require("position", "walberla::mesa_pd::Vec3", access="g")
+ self.accessor.require("linearVelocity", "walberla::mesa_pd::Vec3", access="g")
+ self.accessor.require("force", "walberla::mesa_pd::Vec3", access="r" )
+ self.accessor.require("angularVelocity", "walberla::mesa_pd::Vec3", access="g")
+ self.accessor.require("torque", "walberla::mesa_pd::Vec3", access="r" )
+ self.accessor.require("type", "uint_t", access="g")
+ self.accessor.require("contactHistory", "std::map<walberla::id_t, walberla::mesa_pd::Vec3>", access="gs")
+
+ def getRequirements(self):
+ return self.accessor
+
+ def generate(self, path):
+ context = dict()
+ context["parameters"] = ["lnCORsqr", "meff", "stiffnessT", "dampingT", "frictionCoefficientStatic", "frictionCoefficientDynamic"]
+ context["interface"] = self.accessor.properties
+
+ generateFile(path, 'kernel/NonLinearSpringDashpot.templ.h', context)
diff --git a/python/mesa_pd/kernel/SingleCast.py b/python/mesa_pd/kernel/SingleCast.py
new file mode 100644
index 000000000..ff253dfd0
--- /dev/null
+++ b/python/mesa_pd/kernel/SingleCast.py
@@ -0,0 +1,19 @@
+# -*- coding: utf-8 -*-
+
+from mesa_pd.accessor import Accessor
+from mesa_pd.utility import generateFile
+
+class SingleCast:
+ def __init__(self, shapes):
+ self.shapes = shapes
+ self.accessor = Accessor()
+ self.accessor.require("shape", "BaseShape*", access="g")
+
+ def getRequirements(self):
+ return self.accessor
+
+ def generate(self, path):
+ context = dict()
+ context["interface"] = self.accessor.properties
+ context["shapes"] = self.shapes
+ generateFile(path, 'kernel/SingleCast.templ.h', context)
diff --git a/python/mesa_pd/kernel/SpringDashpot.py b/python/mesa_pd/kernel/SpringDashpot.py
new file mode 100644
index 000000000..e7d90a843
--- /dev/null
+++ b/python/mesa_pd/kernel/SpringDashpot.py
@@ -0,0 +1,30 @@
+# -*- coding: utf-8 -*-
+
+from mesa_pd.accessor import Accessor
+from mesa_pd.utility import generateFile, checkInterface
+
+class SpringDashpot:
+ def __init__(self):
+ self.accessor = Accessor()
+ self.accessor.require("position", "walberla::mesa_pd::Vec3", access="g")
+ self.accessor.require("linearVelocity", "walberla::mesa_pd::Vec3", access="g")
+ self.accessor.require("force", "walberla::mesa_pd::Vec3", access="r" )
+ self.accessor.require("angularVelocity", "walberla::mesa_pd::Vec3", access="g")
+ self.accessor.require("torque", "walberla::mesa_pd::Vec3", access="r" )
+ self.accessor.require("type", "uint_t", access="g")
+ self.accessor.require("contactHistory", "std::map<walberla::id_t, walberla::mesa_pd::Vec3>", access="gs")
+
+ def getRequirements(self):
+ return self.accessor
+
+ def generate(self, path):
+ context = dict()
+ context["parameters"] = ["stiffness", "dampingN", "dampingT", "friction"]
+ context["interface"] = self.accessor.properties
+
+ generateFile(path, 'kernel/SpringDashpot.templ.h', context)
+
+ context["InterfaceTestName"] = "SpringDashpotInterfaceCheck"
+ context["KernelInclude"] = "kernel/SpringDashpot.h"
+ context["ExplicitInstantiation"] = "template void kernel::SpringDashpot::operator()(const size_t p_idx1, const size_t p_idx2, Accessor& ac, const Vec3& contactPoint, const Vec3& contactNormal, const real_t& penetrationDepth) const;"
+ generateFile(path, 'tests/CheckInterface.templ.cpp', context, '../../tests/mesa_pd/kernel/interfaces/SpringDashpotInterfaceCheck.cpp')
diff --git a/python/mesa_pd/kernel/TemperatureIntegration.py b/python/mesa_pd/kernel/TemperatureIntegration.py
new file mode 100644
index 000000000..68cca40f2
--- /dev/null
+++ b/python/mesa_pd/kernel/TemperatureIntegration.py
@@ -0,0 +1,25 @@
+# -*- coding: utf-8 -*-
+
+from mesa_pd.accessor import Accessor
+from mesa_pd.utility import generateFile
+
+class TemperatureIntegration:
+ def __init__(self):
+ self.accessor = Accessor()
+ self.accessor.require("temperature", "walberla::real_t", access="gs")
+ self.accessor.require("heatFlux", "walberla::real_t", access="gs")
+ self.accessor.require("type", "uint_t", access="g")
+
+ def getRequirements(self):
+ return self.accessor
+
+ def generate(self, path):
+ context = dict()
+ context["parameters"] = ["invHeatCapacity"]
+ context["interface"] = self.accessor.properties
+ generateFile(path, 'kernel/TemperatureIntegration.templ.h', context)
+
+ context["InterfaceTestName"] = "TemperatureIntegrationInterfaceCheck"
+ context["KernelInclude"] = "kernel/TemperatureIntegration.h"
+ context["ExplicitInstantiation"] = "template void kernel::TemperatureIntegration::operator()(const size_t p_idx1, Accessor& ac) const;"
+ generateFile(path, 'tests/CheckInterface.templ.cpp', context, '../../tests/mesa_pd/kernel/interfaces/TemperatureIntegrationInterfaceCheck.cpp')
diff --git a/python/mesa_pd/kernel/VelocityVerlet.py b/python/mesa_pd/kernel/VelocityVerlet.py
new file mode 100644
index 000000000..391b77070
--- /dev/null
+++ b/python/mesa_pd/kernel/VelocityVerlet.py
@@ -0,0 +1,29 @@
+# -*- coding: utf-8 -*-
+
+from mesa_pd.accessor import Accessor
+from mesa_pd.utility import generateFile
+
+class VelocityVerlet:
+ def __init__(self):
+ self.accessor = Accessor()
+ self.accessor.require("position", "walberla::mesa_pd::Vec3", access="gs")
+ self.accessor.require("linearVelocity", "walberla::mesa_pd::Vec3", access="gs")
+ self.accessor.require("invMass", "walberla::real_t", access="g" )
+ self.accessor.require("force", "walberla::mesa_pd::Vec3", access="gs" )
+ self.accessor.require("oldForce", "walberla::mesa_pd::Vec3", access="gs" )
+ self.accessor.require("flags", "walberla::mesa_pd::data::particle_flags::FlagT", access="g")
+
+ def getRequirements(self):
+ return self.accessor
+
+ def generate(self, path):
+ context = dict()
+ context["interface"] = self.accessor.properties
+
+ generateFile(path, 'kernel/VelocityVerlet.templ.h', context)
+
+ context["InterfaceTestName"] = "VelocityVerletInterfaceCheck"
+ context["KernelInclude"] = "kernel/VelocityVerlet.h"
+ context["ExplicitInstantiation"] = "template void kernel::VelocityVerletPreForceUpdate::operator()(const size_t p_idx1, Accessor& ac) const;\n" +\
+ "template void kernel::VelocityVerletPostForceUpdate::operator()(const size_t p_idx1, Accessor& ac) const;"
+ generateFile(path, 'tests/CheckInterface.templ.cpp', context, '../../tests/mesa_pd/kernel/interfaces/VelocityVerletInterfaceCheck.cpp')
diff --git a/python/mesa_pd/kernel/VelocityVerletWithShape.py b/python/mesa_pd/kernel/VelocityVerletWithShape.py
new file mode 100644
index 000000000..8dbd50a0b
--- /dev/null
+++ b/python/mesa_pd/kernel/VelocityVerletWithShape.py
@@ -0,0 +1,36 @@
+# -*- coding: utf-8 -*-
+
+from mesa_pd.accessor import Accessor
+from mesa_pd.utility import generateFile
+
+class VelocityVerletWithShape:
+ def __init__(self):
+ self.accessor = Accessor()
+ self.accessor.require("position", "walberla::mesa_pd::Vec3", access="gs")
+ self.accessor.require("linearVelocity", "walberla::mesa_pd::Vec3", access="gs")
+ self.accessor.require("invMass", "walberla::real_t", access="g" )
+ self.accessor.require("force", "walberla::mesa_pd::Vec3", access="gs" )
+ self.accessor.require("oldForce", "walberla::mesa_pd::Vec3", access="gs" )
+
+ self.accessor.require("rotation", "walberla::mesa_pd::Rot3", access="gs")
+ self.accessor.require("angularVelocity", "walberla::mesa_pd::Vec3", access="gs")
+ self.accessor.require("invInertiaBF", "walberla::mesa_pd::Mat3", access="g" )
+ self.accessor.require("torque", "walberla::mesa_pd::Vec3", access="gs" )
+ self.accessor.require("oldTorque", "walberla::mesa_pd::Vec3", access="gs" )
+
+ self.accessor.require("flags", "walberla::mesa_pd::data::particle_flags::FlagT", access="g")
+
+ def getRequirements(self):
+ return self.accessor
+
+ def generate(self, path):
+ context = dict()
+ context["interface"] = self.accessor.properties
+
+ generateFile(path, 'kernel/VelocityVerletWithShape.templ.h', context)
+
+ context["InterfaceTestName"] = "VelocityVerletWithShapeInterfaceCheck"
+ context["KernelInclude"] = "kernel/VelocityVerletWithShape.h"
+ context["ExplicitInstantiation"] = "template void kernel::VelocityVerletWithShapePreForceUpdate::operator()(const size_t p_idx1, Accessor& ac) const;\n" +\
+ "template void kernel::VelocityVerletWithShapePostForceUpdate::operator()(const size_t p_idx1, Accessor& ac) const;"
+ generateFile(path, 'tests/CheckInterface.templ.cpp', context, '../../tests/mesa_pd/kernel/interfaces/VelocityVerletWithShapeInterfaceCheck.cpp')
diff --git a/python/mesa_pd/kernel/__init__.py b/python/mesa_pd/kernel/__init__.py
new file mode 100644
index 000000000..5c96ec4d7
--- /dev/null
+++ b/python/mesa_pd/kernel/__init__.py
@@ -0,0 +1,29 @@
+# -*- coding: utf-8 -*-
+
+from .DoubleCast import DoubleCast
+from .ExplicitEuler import ExplicitEuler
+from .ExplicitEulerWithShape import ExplicitEulerWithShape
+from .ForceLJ import ForceLJ
+from .HeatConduction import HeatConduction
+from .InsertParticleIntoLinkedCells import InsertParticleIntoLinkedCells
+from .LinearSpringDashpot import LinearSpringDashpot
+from .NonLinearSpringDashpot import NonLinearSpringDashpot
+from .SingleCast import SingleCast
+from .SpringDashpot import SpringDashpot
+from .TemperatureIntegration import TemperatureIntegration
+from .VelocityVerlet import VelocityVerlet
+from .VelocityVerletWithShape import VelocityVerletWithShape
+
+__all__ = ['DoubleCast',
+ 'ExplicitEuler',
+ 'ExplicitEulerWithShape',
+ 'ForceLJ',
+ 'HeatConduction',
+ 'InsertParticleIntoLinkedCells',
+ 'LinearSpringDashpot',
+ 'NonLinearSpringDashpot',
+ 'SingleCast',
+ 'SpringDashpot',
+ 'TemperatureIntegration',
+ 'VelocityVerlet',
+ 'VelocityVerletWithShape']
diff --git a/python/mesa_pd/mpi/BroadcastProperty.py b/python/mesa_pd/mpi/BroadcastProperty.py
new file mode 100644
index 000000000..4e6109ae4
--- /dev/null
+++ b/python/mesa_pd/mpi/BroadcastProperty.py
@@ -0,0 +1,7 @@
+# -*- coding: utf-8 -*-
+
+from ..utility import generateFile
+
+class BroadcastProperty:
+ def generate(self, path):
+ generateFile(path, 'mpi/BroadcastProperty.templ.h')
diff --git a/python/mesa_pd/mpi/ClearNextNeighborSync.py b/python/mesa_pd/mpi/ClearNextNeighborSync.py
new file mode 100644
index 000000000..e78fecc88
--- /dev/null
+++ b/python/mesa_pd/mpi/ClearNextNeighborSync.py
@@ -0,0 +1,18 @@
+# -*- coding: utf-8 -*-
+
+from mesa_pd.accessor import Accessor
+from mesa_pd.utility import generateFile
+
+class ClearNextNeighborSync:
+ def __init__(self):
+ self.accessor = Accessor()
+ self.accessor.require("flags", "walberla::mesa_pd::data::particle_flags::FlagT", access="g")
+ self.accessor.require("ghostOwners", "std::vector<int>", access="r")
+
+ def getRequirements(self):
+ return self.accessor
+
+ def generate(self, path):
+ context = dict()
+ context["interface"] = self.accessor.properties
+ generateFile(path, 'mpi/ClearNextNeighborSync.templ.h', context)
diff --git a/python/mesa_pd/mpi/ReduceContactHistory.py b/python/mesa_pd/mpi/ReduceContactHistory.py
new file mode 100644
index 000000000..f2a4c797a
--- /dev/null
+++ b/python/mesa_pd/mpi/ReduceContactHistory.py
@@ -0,0 +1,7 @@
+# -*- coding: utf-8 -*-
+
+from ..utility import generateFile
+
+class ReduceContactHistory:
+ def generate(self, path):
+ generateFile(path, 'mpi/ReduceContactHistory.templ.h')
diff --git a/python/mesa_pd/mpi/ReduceProperty.py b/python/mesa_pd/mpi/ReduceProperty.py
new file mode 100644
index 000000000..b630a0dd0
--- /dev/null
+++ b/python/mesa_pd/mpi/ReduceProperty.py
@@ -0,0 +1,7 @@
+# -*- coding: utf-8 -*-
+
+from ..utility import generateFile
+
+class ReduceProperty:
+ def generate(self, path):
+ generateFile(path, 'mpi/ReduceProperty.templ.h')
diff --git a/python/mesa_pd/mpi/SyncNextNeighbors.py b/python/mesa_pd/mpi/SyncNextNeighbors.py
new file mode 100644
index 000000000..6fdc34f48
--- /dev/null
+++ b/python/mesa_pd/mpi/SyncNextNeighbors.py
@@ -0,0 +1,15 @@
+# -*- coding: utf-8 -*-
+
+from ..utility import generateFile
+
+class SyncNextNeighbors:
+ def __init__(self, p):
+ p.addProperty("position", "walberla::mesa_pd::Vec3", defValue="real_t(0)", syncMode="ALWAYS")
+ p.addProperty("interactionRadius", "walberla::real_t", defValue="real_t(0)", syncMode="ONCE")
+ p.addProperty("flags", "walberla::mesa_pd::data::particle_flags::FlagT", defValue="", syncMode="ONCE")
+ p.addProperty("owner", "int", defValue="-1", syncMode="ONCE")
+ p.addProperty("ghostOwners", "std::vector<int>", defValue="", syncMode="NEVER")
+
+ def generate(self, path):
+ generateFile(path, 'mpi/SyncNextNeighbors.templ.h')
+ generateFile(path, 'mpi/SyncNextNeighbors.templ.cpp')
diff --git a/python/mesa_pd/mpi/__init__.py b/python/mesa_pd/mpi/__init__.py
new file mode 100644
index 000000000..56849e336
--- /dev/null
+++ b/python/mesa_pd/mpi/__init__.py
@@ -0,0 +1,14 @@
+# -*- coding: utf-8 -*-
+
+from .BroadcastProperty import BroadcastProperty
+from .ClearNextNeighborSync import ClearNextNeighborSync
+from .ReduceContactHistory import ReduceContactHistory
+from .ReduceProperty import ReduceProperty
+from .SyncNextNeighbors import SyncNextNeighbors
+
+__all__ = ['BroadcastProperty',
+ 'ClearNextNeighborSync',
+ 'ReduceContactHistory',
+ 'ReduceProperty',
+ 'SyncNextNeighbors',
+ ]
diff --git a/python/mesa_pd/templates/data/ContactHistory.templ.h b/python/mesa_pd/templates/data/ContactHistory.templ.h
new file mode 100644
index 000000000..b455a2fa9
--- /dev/null
+++ b/python/mesa_pd/templates/data/ContactHistory.templ.h
@@ -0,0 +1,109 @@
+//======================================================================================================================
+//
+// This file is part of waLBerla. waLBerla is free software: you can
+// redistribute it and/or modify it under the terms of the GNU General Public
+// License as published by the Free Software Foundation, either version 3 of
+// the License, or (at your option) any later version.
+//
+// waLBerla is distributed in the hope that it will be useful, but WITHOUT
+// ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
+// FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License
+// for more details.
+//
+// You should have received a copy of the GNU General Public License along
+// with waLBerla (see COPYING.txt). If not, see <http://www.gnu.org/licenses/>.
+//
+//! \file ContactHistory.h
+//! \author Sebastian Eibl <sebastian.eibl@fau.de>
+//
+//======================================================================================================================
+
+//======================================================================================================================
+//
+// THIS FILE IS GENERATED - PLEASE CHANGE THE TEMPLATE !!!
+//
+//======================================================================================================================
+
+#pragma once
+
+#include <mesa_pd/data/DataTypes.h>
+{%- for include in includes %}
+#include <{{include}}>
+{%- endfor %}
+#include <mesa_pd/data/STLOverloads.h>
+
+#include <core/Abort.h>
+#include <core/debug/Debug.h>
+#include <core/math/AABB.h>
+#include <core/mpi/Datatype.h>
+#include <core/mpi/RecvBuffer.h>
+#include <core/mpi/SendBuffer.h>
+#include <core/STLIO.h>
+
+#include <vector>
+
+namespace walberla {
+namespace mesa_pd {
+namespace data {
+
+class ContactHistory
+{
+public:
+ {%- for prop in properties %}
+ const {{prop.type}}& get{{prop.name | capFirst}}() const {return {{prop.name}}_;}
+ {{prop.type}}& get{{prop.name | capFirst}}Ref() {return {{prop.name}}_;}
+ void set{{prop.name | capFirst}}(const {{prop.type}}& v) { {{prop.name}}_ = v;}
+ {% endfor %}
+private:
+ {%- for prop in properties %}
+ {{prop.type}} {{prop.name}}_ {};
+ {%- endfor %}
+};
+
+inline
+std::ostream& operator<<( std::ostream& os, const ContactHistory& ch )
+{
+ os << "========== Contact History ==========" << "\n" <<
+ {%- for prop in properties %}
+ "{{'%-20s'|format(prop.name)}}: " << ch.get{{prop.name | capFirst}}() << "\n" <<
+ {%- endfor %}
+ "================================" << std::endl;
+ return os;
+}
+
+} //namespace data
+} //namespace mesa_pd
+} //namespace walberla
+
+//======================================================================================================================
+//
+// Send/Recv Buffer Serialization Specialization
+//
+//======================================================================================================================
+
+namespace walberla {
+namespace mpi {
+
+template< typename T, // Element type of SendBuffer
+ typename G> // Growth policy of SendBuffer
+mpi::GenericSendBuffer<T,G>& operator<<( mpi::GenericSendBuffer<T,G> & buf, const mesa_pd::data::ContactHistory& obj )
+{
+ buf.addDebugMarker( "ch" );
+ {%- for prop in properties %}
+ buf << obj.get{{prop.name | capFirst}}();
+ {%- endfor %}
+ return buf;
+}
+
+template< typename T> // Element type of RecvBuffer
+mpi::GenericRecvBuffer<T>& operator>>( mpi::GenericRecvBuffer<T> & buf, mesa_pd::data::ContactHistory& objparam )
+{
+ buf.readDebugMarker( "ch" );
+ {%- for prop in properties %}
+ buf >> objparam.get{{prop.name | capFirst}}Ref();
+ {%- endfor %}
+ return buf;
+}
+
+} // mpi
+} // walberla
diff --git a/python/mesa_pd/templates/data/LinkedCells.templ.h b/python/mesa_pd/templates/data/LinkedCells.templ.h
new file mode 100644
index 000000000..c5107a6ef
--- /dev/null
+++ b/python/mesa_pd/templates/data/LinkedCells.templ.h
@@ -0,0 +1,266 @@
+//======================================================================================================================
+//
+// This file is part of waLBerla. waLBerla is free software: you can
+// redistribute it and/or modify it under the terms of the GNU General Public
+// License as published by the Free Software Foundation, either version 3 of
+// the License, or (at your option) any later version.
+//
+// waLBerla is distributed in the hope that it will be useful, but WITHOUT
+// ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
+// FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License
+// for more details.
+//
+// You should have received a copy of the GNU General Public License along
+// with waLBerla (see COPYING.txt). If not, see <http://www.gnu.org/licenses/>.
+//
+//! \file LinkedCells.h
+//! \author Sebastian Eibl <sebastian.eibl@fau.de>
+//
+//======================================================================================================================
+
+//======================================================================================================================
+//
+// THIS FILE IS GENERATED - PLEASE CHANGE THE TEMPLATE !!!
+//
+//======================================================================================================================
+
+#pragma once
+
+#include <mesa_pd/data/DataTypes.h>
+#include <mesa_pd/data/IAccessor.h>
+#include <mesa_pd/data/ParticleStorage.h>
+
+#include <core/Abort.h>
+#include <core/debug/Debug.h>
+#include <core/math/AABB.h>
+#include <stencil/D3Q27.h>
+
+#include <atomic>
+#include <cmath>
+#include <vector>
+
+namespace walberla {
+namespace mesa_pd {
+namespace data {
+
+struct LinkedCells
+{
+ LinkedCells(const math::AABB& domain, const real_t cellDiameter) : LinkedCells(domain, Vec3(cellDiameter,cellDiameter,cellDiameter)) {}
+ LinkedCells(const math::AABB& domain, const Vec3& cellDiameter);
+
+ void clear();
+
+ /**
+ * Calls the provided functor \p func for all particle pairs.
+ *
+ * Additional arguments can be provided. No pairs with twice the same particle.
+ * Call syntax for the provided functor
+ * \code
+ * func( *this, i, j, std::forward<Args>(args)... );
+ * \endcode
+ * \param openmp enables/disables OpenMP parallelization of the kernel call
+ */
+ template <typename Selector, typename Accessor, typename Func, typename... Args>
+ void forEachParticlePair(const bool openmp,
+ const Selector& selector,
+ Accessor& acForLC,
+ Func&& func,
+ Args&&... args) const;
+ /**
+ * Calls the provided functor \p func for all particle pairs.
+ *
+ * Additional arguments can be provided. No pairs with twice the same particle are generated.
+ * No pair is called twice!
+ * Call syntax for the provided functor
+ * \code
+ * func( *this, i, j, std::forward<Args>(args)... );
+ * \endcode
+ * \param openmp enables/disables OpenMP parallelization of the kernel call
+ */
+ template <typename Selector, typename Accessor, typename Func, typename... Args>
+ void forEachParticlePairHalf(const bool openmp,
+ const Selector& selector,
+ Accessor& acForLC,
+ Func&& func,
+ Args&&... args) const;
+
+ math::AABB domain_ {};
+ Vector3<int> numCellsPerDim_ {};
+ Vec3 cellDiameter_ {};
+ Vec3 invCellDiameter_ {};
+ std::atomic<int> infiniteParticles_ {};
+ std::vector< std::atomic<int> > cells_ {};
+};
+
+inline
+math::AABB getCellAABB(const LinkedCells& ll, const int hash0, const int hash1, const int hash2)
+{
+ {%- for dim in range(3) %}
+ WALBERLA_ASSERT_GREATER_EQUAL(hash{{dim}}, 0);
+ WALBERLA_ASSERT_LESS(hash{{dim}}, ll.numCellsPerDim_[{{dim}}]);
+ {%- endfor %}
+ const auto& minCorner = ll.domain_.minCorner();
+ const real_t xMin = ll.cellDiameter_[0] * real_c(hash0) + minCorner[0];
+ const real_t yMin = ll.cellDiameter_[1] * real_c(hash1) + minCorner[1];
+ const real_t zMin = ll.cellDiameter_[2] * real_c(hash2) + minCorner[2];
+ const real_t xMax = ll.cellDiameter_[0] * real_c(hash0 + 1) + minCorner[0];
+ const real_t yMax = ll.cellDiameter_[1] * real_c(hash1 + 1) + minCorner[1];
+ const real_t zMax = ll.cellDiameter_[2] * real_c(hash2 + 1) + minCorner[2];
+ return math::AABB(xMin, yMin, zMin, xMax, yMax, zMax);
+}
+
+inline
+int getCellIdx(const LinkedCells& ll, const int hash0, const int hash1, const int hash2)
+{
+ {%- for dim in range(3) %}
+ WALBERLA_ASSERT_GREATER_EQUAL(hash{{dim}}, 0);
+ WALBERLA_ASSERT_LESS(hash{{dim}}, ll.numCellsPerDim_[{{dim}}]);
+ {%- endfor %}
+ return hash2 * ll.numCellsPerDim_[1] * ll.numCellsPerDim_[0] + hash1 * ll.numCellsPerDim_[0] + hash0;
+}
+
+inline
+LinkedCells::LinkedCells(const math::AABB& domain, const Vec3& cellDiameter)
+ : domain_(domain)
+ , numCellsPerDim_( static_cast<int>(std::ceil( domain.sizes()[0] / cellDiameter[0])),
+ static_cast<int>(std::ceil( domain.sizes()[1] / cellDiameter[1])),
+ static_cast<int>(std::ceil( domain.sizes()[2] / cellDiameter[2])) )
+ , cellDiameter_( domain.sizes()[0] / real_c(numCellsPerDim_[0]),
+ domain.sizes()[1] / real_c(numCellsPerDim_[1]),
+ domain.sizes()[2] / real_c(numCellsPerDim_[2]) )
+ , invCellDiameter_( real_t(1) / cellDiameter_[0], real_t(1) / cellDiameter_[1], real_t(1) / cellDiameter_[2] )
+ , cells_(uint_c(numCellsPerDim_[0]*numCellsPerDim_[1]*numCellsPerDim_[2]))
+{
+ //precondition
+ {%- for dim in range(3) %}
+ WALBERLA_CHECK_GREATER_EQUAL(cellDiameter[{{dim}}], real_t(0));
+ {%- endfor %}
+
+ //postcondition
+ {%- for dim in range(3) %}
+ WALBERLA_CHECK_GREATER_EQUAL(cellDiameter_[{{dim}}], real_t(0));
+ WALBERLA_CHECK_LESS_EQUAL(cellDiameter_[{{dim}}], cellDiameter[{{dim}}]);
+
+ WALBERLA_CHECK_GREATER_EQUAL(numCellsPerDim_[{{dim}}], 0);
+ {%- endfor %}
+}
+
+void LinkedCells::clear()
+{
+ const uint64_t cellsSize = cells_.size();
+ //clear existing linked cells
+ #ifdef _OPENMP
+ #pragma omp parallel for schedule(static)
+ #endif
+ for (int64_t i = 0; i < int64_c(cellsSize); ++i)
+ cells_[uint64_c(i)] = -1;
+ infiniteParticles_ = -1;
+}
+
+{%- for half in [False, True] %}
+template <typename Selector, typename Accessor, typename Func, typename... Args>
+inline void LinkedCells::forEachParticlePair{%- if half %}Half{%- endif %}(const bool openmp, const Selector& selector, Accessor& acForLC, Func&& func, Args&&... args) const
+{
+ static_assert(std::is_base_of<data::IAccessor, Accessor>::value, "please provide a valid accessor");
+ WALBERLA_UNUSED(openmp);
+#ifdef _OPENMP
+#pragma omp parallel for schedule(static) if (openmp)
+#endif
+ for (int z = 0; z < numCellsPerDim_[2]; ++z)
+ {
+ for (int y = 0; y < numCellsPerDim_[1]; ++y)
+ {
+ for (int x = 0; x < numCellsPerDim_[0]; ++x)
+ {
+ const int cell_idx = getCellIdx(*this, x, y, z); ///< current cell index
+ int p_idx = cells_[uint_c(cell_idx)]; ///< current particle index
+ int np_idx = -1; ///< particle to be checked against
+
+ while (p_idx != -1)
+ {
+ WALBERLA_ASSERT_GREATER_EQUAL(p_idx, 0);
+ WALBERLA_ASSERT_LESS(p_idx, acForLC.size());
+
+ // check particles in own cell
+ np_idx = acForLC.getNextParticle(uint_c(p_idx)); ///< neighbor particle index
+ while (np_idx != -1)
+ {
+ WALBERLA_ASSERT_GREATER_EQUAL(np_idx, 0);
+ WALBERLA_ASSERT_LESS(np_idx, acForLC.size());
+
+ if (selector(uint_c(p_idx), uint_c(np_idx), acForLC))
+ {
+ func(uint_c(p_idx), uint_c(np_idx), std::forward<Args>(args)...);
+ {%- if not half %}
+ func(uint_c(np_idx), uint_c(p_idx), std::forward<Args>(args)...);
+ {%- endif %}
+ }
+
+ np_idx = acForLC.getNextParticle(uint_c(np_idx));
+ }
+
+ // check particles in neighboring cells (only positive ones)
+ for (auto dir : stencil::D3Q27::dir_pos)
+ {
+ const int nx = x + stencil::cx[dir];
+ const int ny = y + stencil::cy[dir];
+ const int nz = z + stencil::cz[dir];
+ if (nx < 0) continue;
+ if (ny < 0) continue;
+ if (nz < 0) continue;
+ if (nx >= numCellsPerDim_[0]) continue;
+ if (ny >= numCellsPerDim_[1]) continue;
+ if (nz >= numCellsPerDim_[2]) continue;
+
+ const int ncell_idx = getCellIdx(*this, nx, ny, nz); ///< neighbor cell index
+
+ WALBERLA_ASSERT_GREATER_EQUAL(p_idx, 0);
+ WALBERLA_ASSERT_LESS(p_idx, acForLC.size());
+ np_idx = cells_[uint_c(ncell_idx)]; ///< neighbor particle index
+ while (np_idx != -1)
+ {
+ WALBERLA_ASSERT_GREATER_EQUAL(np_idx, 0);
+ WALBERLA_ASSERT_LESS(np_idx, acForLC.size());
+
+ if (selector(uint_c(p_idx), uint_c(np_idx), acForLC))
+ {
+ func(uint_c(p_idx), uint_c(np_idx), std::forward<Args>(args)...);
+ {%- if not half %}
+ func(uint_c(np_idx), uint_c(p_idx), std::forward<Args>(args)...);
+ {%- endif %}
+ }
+
+ np_idx = acForLC.getNextParticle(uint_c(np_idx));
+ }
+ }
+
+ // check particles in infiniteParticles list
+ np_idx = infiniteParticles_; ///< neighbor particle index
+ while (np_idx != -1)
+ {
+ WALBERLA_ASSERT_GREATER_EQUAL(np_idx, 0);
+ WALBERLA_ASSERT_LESS(np_idx, acForLC.size());
+
+ if (selector(uint_c(p_idx), uint_c(np_idx), acForLC))
+ {
+ func(uint_c(p_idx), uint_c(np_idx), std::forward<Args>(args)...);
+ {%- if not half %}
+ func(uint_c(np_idx), uint_c(p_idx), std::forward<Args>(args)...);
+ {%- endif %}
+ }
+
+ np_idx = acForLC.getNextParticle(uint_c(np_idx));
+ }
+
+ // go to next particle
+ p_idx = acForLC.getNextParticle(uint_c(p_idx));
+ }
+ }
+ }
+ }
+}
+{%- endfor %}
+
+} //namespace data
+} //namespace mesa_pd
+} //namespace walberla
diff --git a/python/mesa_pd/templates/data/ParticleAccessor.templ.h b/python/mesa_pd/templates/data/ParticleAccessor.templ.h
new file mode 100644
index 000000000..387824fbe
--- /dev/null
+++ b/python/mesa_pd/templates/data/ParticleAccessor.templ.h
@@ -0,0 +1,126 @@
+//======================================================================================================================
+//
+// This file is part of waLBerla. waLBerla is free software: you can
+// redistribute it and/or modify it under the terms of the GNU General Public
+// License as published by the Free Software Foundation, either version 3 of
+// the License, or (at your option) any later version.
+//
+// waLBerla is distributed in the hope that it will be useful, but WITHOUT
+// ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
+// FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License
+// for more details.
+//
+// You should have received a copy of the GNU General Public License along
+// with waLBerla (see COPYING.txt). If not, see <http://www.gnu.org/licenses/>.
+//
+//! \file ParticleAccessor.h
+//! \author Sebastian Eibl <sebastian.eibl@fau.de>
+//
+//======================================================================================================================
+
+//======================================================================================================================
+//
+// THIS FILE IS GENERATED - PLEASE CHANGE THE TEMPLATE !!!
+//
+//======================================================================================================================
+
+#pragma once
+
+#include <mesa_pd/data/IAccessor.h>
+#include <mesa_pd/data/ParticleStorage.h>
+
+#include <core/UniqueID.h>
+
+#include <limits>
+
+namespace walberla {
+namespace mesa_pd {
+namespace data {
+
+/**
+ * @brief Basic ParticleAccessor for the ParticleStorage
+ *
+ * Provides get, set and getRef for all members of the ParticleStorage.
+ * Can be used as a basis class for a more advanced ParticleAccessor.
+ */
+class ParticleAccessor : public IAccessor
+{
+public:
+ ParticleAccessor(const std::shared_ptr<data::ParticleStorage>& ps) : ps_(ps) {}
+ virtual ~ParticleAccessor() = default;
+
+ {%- for prop in properties %}
+ const {{prop.type}}& get{{prop.name | capFirst}}(const size_t p_idx) const {return ps_->get{{prop.name | capFirst}}(p_idx);}
+ {{prop.type}}& get{{prop.name | capFirst}}Ref(const size_t p_idx) {return ps_->get{{prop.name | capFirst}}Ref(p_idx);}
+ void set{{prop.name | capFirst}}(const size_t p_idx, const {{prop.type}}& v) { ps_->set{{prop.name | capFirst}}(p_idx, v);}
+ {% endfor %}
+
+ id_t getInvalidUid() const {return UniqueID<data::Particle>::invalidID();}
+ size_t getInvalidIdx() const {return std::numeric_limits<size_t>::max();}
+ /**
+ * @brief Returns the index of particle specified by uid.
+ * @param uid unique id of the particle to be looked up
+ * @return the index of the particle or std::numeric_limits<size_t>::max() if the particle is not found
+ */
+ size_t uidToIdx(const id_t& uid) const {auto it = ps_->find(uid); return it != ps_->end() ? it.getIdx() : std::numeric_limits<size_t>::max();}
+ size_t size() const { return ps_->size(); }
+
+ inline size_t create(const id_t& uid);
+ inline size_t erase(const size_t& idx);
+ inline size_t find(const id_t& uid);
+protected:
+ std::shared_ptr<data::ParticleStorage> ps_;
+};
+
+inline size_t ParticleAccessor::create(const id_t& uid)
+{
+ auto it = ps_->create(uid);
+ return it.getIdx();
+}
+inline size_t ParticleAccessor::erase(const size_t& idx)
+{
+ data::ParticleStorage::iterator it(ps_.get(), idx);
+ it = ps_->erase(it);
+ return it.getIdx();
+}
+inline size_t ParticleAccessor::find(const id_t& uid)
+{
+ auto it = ps_->find(uid);
+ return it.getIdx();
+}
+
+/**
+ * @brief Basic ParticleAccessor which emulates a single particle in a ParticleStorage
+ * without actually needing a ParticleStorage. This class is used mainly for testing purposes.
+ *
+ * Provides get, set and getRef.
+ */
+class SingleParticleAccessor : public IAccessor
+{
+public:
+ virtual ~SingleParticleAccessor() = default;
+
+ {%- for prop in properties %}
+ const {{prop.type}}& get{{prop.name | capFirst}}(const size_t /*p_idx*/) const {return {{prop.name}}_;}
+ void set{{prop.name | capFirst}}(const size_t /*p_idx*/, const {{prop.type}}& v) { {{prop.name}}_ = v;}
+ {{prop.type}}& get{{prop.name | capFirst}}Ref(const size_t /*p_idx*/) {return {{prop.name}}_;}
+ {% endfor %}
+
+ id_t getInvalidUid() const {return UniqueID<data::Particle>::invalidID();}
+ size_t getInvalidIdx() const {return std::numeric_limits<size_t>::max();}
+ /**
+ * @brief Returns the index of particle specified by uid.
+ * @param uid unique id of the particle to be looked up
+ * @return the index of the particle or std::numeric_limits<size_t>::max() if the particle is not found
+ */
+ size_t uidToIdx(const id_t& uid) const {return uid == uid_ ? 0 : std::numeric_limits<size_t>::max();}
+ size_t size() const { return 1; }
+private:
+ {%- for prop in properties %}
+ {{prop.type}} {{prop.name}}_;
+ {%- endfor %}
+};
+
+} //namespace data
+} //namespace mesa_pd
+} //namespace walberla
diff --git a/python/mesa_pd/templates/data/ParticleStorage.templ.h b/python/mesa_pd/templates/data/ParticleStorage.templ.h
new file mode 100644
index 000000000..c6a0f2011
--- /dev/null
+++ b/python/mesa_pd/templates/data/ParticleStorage.templ.h
@@ -0,0 +1,514 @@
+//======================================================================================================================
+//
+// This file is part of waLBerla. waLBerla is free software: you can
+// redistribute it and/or modify it under the terms of the GNU General Public
+// License as published by the Free Software Foundation, either version 3 of
+// the License, or (at your option) any later version.
+//
+// waLBerla is distributed in the hope that it will be useful, but WITHOUT
+// ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
+// FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License
+// for more details.
+//
+// You should have received a copy of the GNU General Public License along
+// with waLBerla (see COPYING.txt). If not, see <http://www.gnu.org/licenses/>.
+//
+//! \file ParticleStorage.h
+//! \author Sebastian Eibl <sebastian.eibl@fau.de>
+//
+//======================================================================================================================
+
+//======================================================================================================================
+//
+// THIS FILE IS GENERATED - PLEASE CHANGE THE TEMPLATE !!!
+//
+//======================================================================================================================
+
+#pragma once
+
+#include <atomic>
+#include <limits>
+#include <map>
+#include <type_traits>
+#include <unordered_map>
+#include <vector>
+
+#include <mesa_pd/data/ContactHistory.h>
+#include <mesa_pd/data/DataTypes.h>
+#include <mesa_pd/data/IAccessor.h>
+{%- for include in includes %}
+#include <{{include}}>
+{%- endfor %}
+#include <mesa_pd/data/STLOverloads.h>
+
+#include <core/Abort.h>
+#include <core/debug/Debug.h>
+#include <core/math/AABB.h>
+#include <core/OpenMP.h>
+#include <core/STLIO.h>
+#include <core/UniqueID.h>
+
+namespace walberla {
+namespace mesa_pd {
+namespace data {
+
+class ParticleStorage;
+
+class ParticleStorage
+{
+public:
+ class Particle
+ {
+ public:
+ constexpr Particle(ParticleStorage& storage, const size_t i) : storage_(storage), i_(i) {}
+ constexpr Particle(const Particle&) = default;
+ constexpr Particle(Particle&&) = default;
+
+ Particle& operator=(const Particle& rhs);
+ Particle& operator=(Particle&& rhs);
+
+ Particle* operator->(){return this;}
+
+ {% for prop in properties %}
+ const {{prop.type}}& get{{prop.name | capFirst}}() const {return storage_.get{{prop.name | capFirst}}(i_);}
+ {{prop.type}}& get{{prop.name | capFirst}}Ref() {return storage_.get{{prop.name | capFirst}}Ref(i_);}
+ void set{{prop.name | capFirst}}(const {{prop.type}}& v) { storage_.set{{prop.name | capFirst}}(i_, v);}
+ {% endfor %}
+
+ size_t getIdx() const {return i_;}
+ public:
+ ParticleStorage& storage_;
+ const size_t i_;
+ };
+
+ class iterator
+ {
+ public:
+ using iterator_category = std::random_access_iterator_tag;
+ using value_type = Particle;
+ using pointer = Particle*;
+ using reference = Particle&;
+ using difference_type = std::ptrdiff_t;
+
+ explicit iterator(ParticleStorage* storage, const size_t i) : storage_(storage), i_(i) {}
+ iterator(const iterator& it) = default;
+ iterator(iterator&& it) = default;
+ iterator& operator=(const iterator&) = default;
+ iterator& operator=(iterator&&) = default;
+
+
+ Particle operator*() const {return Particle{*storage_, i_};}
+ Particle operator->() const {return Particle{*storage_, i_};}
+ iterator& operator++(){ ++i_; return *this; }
+ iterator operator++(int){ iterator tmp(*this); ++(*this); return tmp; }
+ iterator& operator--(){ --i_; return *this; }
+ iterator operator--(int){ iterator tmp(*this); --(*this); return tmp; }
+
+ iterator& operator+=(const size_t n){ i_+=n; return *this; }
+ iterator& operator-=(const size_t n){ i_-=n; return *this; }
+
+ friend iterator operator+(const iterator& it, const size_t n);
+ friend iterator operator+(const size_t n, const iterator& it);
+ friend iterator operator-(const iterator& it, const size_t n);
+ friend difference_type operator-(const iterator& lhs, const iterator& rhs);
+
+ friend bool operator==(const iterator& lhs, const iterator& rhs);
+ friend bool operator!=(const iterator& lhs, const iterator& rhs);
+ friend bool operator<(const iterator& lhs, const iterator& rhs);
+ friend bool operator>(const iterator& lhs, const iterator& rhs);
+ friend bool operator<=(const iterator& lhs, const iterator& rhs);
+ friend bool operator>=(const iterator& lhs, const iterator& rhs);
+
+ friend void swap(iterator& lhs, iterator& rhs);
+
+ size_t getIdx() const {return i_;}
+ private:
+ ParticleStorage* storage_;
+ size_t i_;
+ };
+
+ explicit ParticleStorage(const size_t size);
+
+ iterator begin() { return iterator(this, 0); }
+ iterator end() { return iterator(this, size()); }
+ iterator operator[](const size_t n) { return iterator(this, n); }
+
+ {% for prop in properties %}
+ const {{prop.type}}& get{{prop.name | capFirst}}(const size_t idx) const {return {{prop.name}}_[idx];}
+ {{prop.type}}& get{{prop.name | capFirst}}Ref(const size_t idx) {return {{prop.name}}_[idx];}
+ void set{{prop.name | capFirst}}(const size_t idx, const {{prop.type}}& v) { {{prop.name}}_[idx] = v; }
+ {% endfor %}
+
+ /**
+ * @brief creates a new particle and returns an iterator pointing to it
+ *
+ * \attention Use this function only if you know what you are doing!
+ * Messing with the uid might break the simulation!
+ * If you are unsure use create(bool) instead.
+ * @param uid unique id of the particle to be created
+ * @return iterator to the newly created particle
+ */
+ inline iterator create(const id_t& uid);
+ inline iterator create(const bool global = false);
+ inline iterator erase(iterator& it);
+ /// Finds the entry corresponding to \p uid.
+ /// \return iterator to the object or end iterator
+ inline iterator find(const id_t& uid);
+ inline void reserve(const size_t size);
+ inline void clear();
+ inline size_t size() const;
+
+ /**
+ * Calls the provided functor \p func for all Particles.
+ *
+ * Additional arguments can be provided.
+ * Call syntax for the provided functor
+ * \code
+ * func( *this, i, std::forward<Args>(args)... );
+ * \endcode
+ * \param openmp enables/disables OpenMP parallelization of the kernel call
+ */
+ template <typename Selector, typename Accessor, typename Func, typename... Args>
+ inline void forEachParticle(const bool openmp,
+ const Selector& selector,
+ Accessor& acForPS,
+ Func&& func,
+ Args&&... args);
+ template <typename Selector, typename Accessor, typename Func, typename... Args>
+ inline void forEachParticle(const bool openmp,
+ const Selector& selector,
+ Accessor& acForPS,
+ Func&& func,
+ Args&&... args) const;
+ /**
+ * Calls the provided functor \p func for all Particle pairs.
+ *
+ * Additional arguments can be provided. No pairs with twice the same Particle.
+ * Call syntax for the provided functor
+ * \code
+ * func( *this, i, j, std::forward<Args>(args)... );
+ * \endcode
+ * \param openmp enables/disables OpenMP parallelization of the kernel call
+ */
+ template <typename Selector, typename Accessor, typename Func, typename... Args>
+ inline void forEachParticlePair(const bool openmp,
+ const Selector& selector,
+ Accessor& acForPS,
+ Func&& func,
+ Args&&... args);
+ template <typename Selector, typename Accessor, typename Func, typename... Args>
+ inline void forEachParticlePair(const bool openmp,
+ const Selector& selector,
+ Accessor& acForPS,
+ Func&& func,
+ Args&&... args) const;
+ /**
+ * Calls the provided functor \p func for all Particle pairs.
+ *
+ * Additional arguments can be provided. No pairs with twice the same Particle.
+ * Index of the first particle i will be always smaller than j! No pair is called twice!
+ * Call syntax for the provided functor
+ * \code
+ * func( *this, i, j, std::forward<Args>(args)... );
+ * \endcode
+ * \param openmp enables/disables OpenMP parallelization of the kernel call
+ */
+ template <typename Selector, typename Accessor, typename Func, typename... Args>
+ inline void forEachParticlePairHalf(const bool openmp,
+ const Selector& selector,
+ Accessor& acForPS,
+ Func&& func,
+ Args&&... args);
+ template <typename Selector, typename Accessor, typename Func, typename... Args>
+ inline void forEachParticlePairHalf(const bool openmp,
+ const Selector& selector,
+ Accessor& acForPS,
+ Func&& func,
+ Args&&... args) const;
+
+ private:
+ {%- for prop in properties %}
+ std::vector<{{prop.type}}> {{prop.name}}_ {};
+ {%- endfor %}
+ std::unordered_map<id_t, size_t> uidToIdx_;
+ static_assert(std::is_same<decltype(uid_)::value_type, id_t>::value,
+ "Property uid of type id_t is missing. This property is required!");
+};
+using Particle = ParticleStorage::Particle;
+
+inline
+ParticleStorage::Particle& ParticleStorage::Particle::operator=(const ParticleStorage::Particle& rhs)
+{
+ {%- for prop in properties %}
+ get{{prop.name | capFirst}}Ref() = rhs.get{{prop.name | capFirst}}();
+ {%- endfor %}
+ return *this;
+}
+
+inline
+ParticleStorage::Particle& ParticleStorage::Particle::operator=(ParticleStorage::Particle&& rhs)
+{
+ {%- for prop in properties %}
+ get{{prop.name | capFirst}}Ref() = std::move(rhs.get{{prop.name | capFirst}}Ref());
+ {%- endfor %}
+ return *this;
+}
+
+inline
+std::ostream& operator<<( std::ostream& os, const ParticleStorage::Particle& p )
+{
+ os << "========== {{StorageType | upper}} ==========" << "\n" <<
+ "idx : " << p.getIdx() << "\n" <<
+ {%- for prop in properties %}
+ "{{'%-20s'|format(prop.name)}}: " << p.get{{prop.name | capFirst}}() << "\n" <<
+ {%- endfor %}
+ "================================" << std::endl;
+ return os;
+}
+
+inline
+ParticleStorage::iterator operator+(const ParticleStorage::iterator& it, const size_t n)
+{
+ return ParticleStorage::iterator(it.storage_, it.i_+n);
+}
+
+inline
+ParticleStorage::iterator operator+(const size_t n, const ParticleStorage::iterator& it)
+{
+ return it + n;
+}
+
+inline
+ParticleStorage::iterator operator-(const ParticleStorage::iterator& it, const size_t n)
+{
+ return ParticleStorage::iterator(it.storage_, it.i_-n);
+}
+
+inline
+ParticleStorage::iterator::difference_type operator-(const ParticleStorage::iterator& lhs, const ParticleStorage::iterator& rhs)
+{
+ return int64_c(lhs.i_) - int64_c(rhs.i_);
+}
+
+inline bool operator==(const ParticleStorage::iterator& lhs, const ParticleStorage::iterator& rhs)
+{
+ WALBERLA_ASSERT_EQUAL(lhs.storage_, rhs.storage_);
+ return (lhs.i_ == rhs.i_);
+}
+inline bool operator!=(const ParticleStorage::iterator& lhs, const ParticleStorage::iterator& rhs)
+{
+ WALBERLA_ASSERT_EQUAL(lhs.storage_, rhs.storage_);
+ return (lhs.i_ != rhs.i_);
+}
+inline bool operator<(const ParticleStorage::iterator& lhs, const ParticleStorage::iterator& rhs)
+{
+ WALBERLA_ASSERT_EQUAL(lhs.storage_, rhs.storage_);
+ return (lhs.i_ < rhs.i_);
+}
+inline bool operator>(const ParticleStorage::iterator& lhs, const ParticleStorage::iterator& rhs)
+{
+ WALBERLA_ASSERT_EQUAL(lhs.storage_, rhs.storage_);
+ return (lhs.i_ > rhs.i_);
+}
+inline bool operator<=(const ParticleStorage::iterator& lhs, const ParticleStorage::iterator& rhs)
+{
+ WALBERLA_ASSERT_EQUAL(lhs.storage_, rhs.storage_);
+ return (lhs.i_ <= rhs.i_);
+}
+inline bool operator>=(const ParticleStorage::iterator& lhs, const ParticleStorage::iterator& rhs)
+{
+ WALBERLA_ASSERT_EQUAL(lhs.storage_, rhs.storage_);
+ return (lhs.i_ >= rhs.i_);
+}
+
+inline void swap(ParticleStorage::iterator& lhs, ParticleStorage::iterator& rhs)
+{
+ WALBERLA_ASSERT_EQUAL(lhs.storage_, rhs.storage_);
+ std::swap(lhs.i_, rhs.i_);
+}
+
+inline
+ParticleStorage::ParticleStorage(const size_t size)
+{
+ reserve(size);
+}
+
+
+inline ParticleStorage::iterator ParticleStorage::create(const id_t& uid)
+{
+ WALBERLA_ASSERT_EQUAL(uidToIdx_.find(uid),
+ uidToIdx_.end(),
+ "particle with the same uid(" << uid <<") already existing at index(" << uidToIdx_.find(uid)->second << ")");
+ {%- for prop in properties %}
+ {{prop.name}}_.emplace_back({{prop.defValue}});
+ {%- endfor %}
+ uid_.back() = uid;
+ uidToIdx_[uid] = uid_.size() - 1;
+ return iterator(this, size() - 1);
+}
+
+inline ParticleStorage::iterator ParticleStorage::create(const bool global)
+{
+ if (global)
+ {
+ auto it = create(UniqueID<Particle>::createGlobal());
+ data::particle_flags::set(flags_.back(), data::particle_flags::GLOBAL);
+ data::particle_flags::set(flags_.back(), data::particle_flags::NON_COMMUNICATING);
+ return it;
+ } else
+ {
+ return create(UniqueID<Particle>::create());
+ }
+}
+
+inline ParticleStorage::iterator ParticleStorage::erase(iterator& it)
+{
+ //swap with last element and pop
+ auto last = --end();
+ auto numElementsRemoved = uidToIdx_.erase(it->getUid());
+ WALBERLA_CHECK_EQUAL(numElementsRemoved,
+ 1,
+ "Particle with uid " << it->getUid() << " cannot be removed (not existing).");
+ if (it != last) //skip swap if last element is removed
+ {
+ *it = *last;
+ uidToIdx_[it->getUid()] = it.getIdx();
+ }
+ {%- for prop in properties %}
+ {{prop.name}}_.pop_back();
+ {%- endfor %}
+ return it;
+}
+
+inline ParticleStorage::iterator ParticleStorage::find(const id_t& uid)
+{
+ //linear search through uid vector
+ //auto it = std::find(uid_.begin(), uid_.end(), uid);
+ //if (it == uid_.end()) return end();
+ //return iterator(this, uint_c(std::distance(uid_.begin(), it)));
+
+ //use unordered_map for faster lookup
+ auto it = uidToIdx_.find(uid);
+ if (it == uidToIdx_.end()) return end();
+ WALBERLA_ASSERT_EQUAL(it->first, uid, "Lookup via uidToIdx map is not up to date!!!");
+ return iterator(this, it->second);
+}
+
+inline void ParticleStorage::reserve(const size_t size)
+{
+ {%- for prop in properties %}
+ {{prop.name}}_.reserve(size);
+ {%- endfor %}
+}
+
+inline void ParticleStorage::clear()
+{
+ {%- for prop in properties %}
+ {{prop.name}}_.clear();
+ {%- endfor %}
+ uidToIdx_.clear();
+}
+
+inline size_t ParticleStorage::size() const
+{
+ {%- for prop in properties %}
+ //WALBERLA_ASSERT_EQUAL( {{properties[0].name}}_.size(), {{prop.name}}.size() );
+ {%- endfor %}
+ return {{properties[0].name}}_.size();
+}
+
+{%- for const in ["", "const"] %}
+template <typename Selector, typename Accessor, typename Func, typename... Args>
+inline void ParticleStorage::forEachParticle(const bool openmp,
+ const Selector& selector,
+ Accessor& acForPS,
+ Func&& func, Args&&... args) {{const}}
+{
+ static_assert (std::is_base_of<data::IAccessor, Accessor>::value, "please provide a valid accessor" );
+
+ WALBERLA_UNUSED(openmp);
+ const uint64_t len = size();
+ #ifdef _OPENMP
+ #pragma omp parallel for schedule(static) if (openmp)
+ #endif
+ for (int64_t i = 0; i < int64_c(len); ++i)
+ {
+ if (selector(uint64_c(i), acForPS))
+ func( uint64_c(i), std::forward<Args>(args)... );
+ }
+}
+{%- endfor %}
+
+{%- for const in ["", "const"] %}
+template <typename Selector, typename Accessor, typename Func, typename... Args>
+inline void ParticleStorage::forEachParticlePair(const bool openmp,
+ const Selector& selector,
+ Accessor& acForPS,
+ Func&& func, Args&&... args) {{const}}
+{
+ static_assert (std::is_base_of<data::IAccessor, Accessor>::value, "please provide a valid accessor" );
+
+ WALBERLA_UNUSED(openmp);
+ const uint64_t len = size();
+ #ifdef _OPENMP
+ #pragma omp parallel for schedule(static) if (openmp)
+ #endif
+ for (int64_t i = 0; i < int64_c(len); ++i)
+ {
+ for (int64_t j = 0; j < int64_c(len); ++j)
+ {
+ if (i!=j)
+ {
+ if (selector(uint64_c(i), uint64_c(j), acForPS))
+ {
+ func( uint64_c(i), uint64_c(j), std::forward<Args>(args)... );
+ }
+ }
+ }
+ }
+}
+{%- endfor %}
+
+{%- for const in ["", "const"] %}
+template <typename Selector, typename Accessor, typename Func, typename... Args>
+inline void ParticleStorage::forEachParticlePairHalf(const bool openmp,
+ const Selector& selector,
+ Accessor& acForPS,
+ Func&& func, Args&&... args) {{const}}
+{
+ static_assert (std::is_base_of<data::IAccessor, Accessor>::value, "please provide a valid accessor" );
+
+ WALBERLA_UNUSED(openmp);
+ const uint64_t len = size();
+ #ifdef _OPENMP
+ #pragma omp parallel for schedule(static) if (openmp)
+ #endif
+ for (int64_t i = 0; i < int64_c(len); ++i)
+ {
+ for (int64_t j = i+1; j < int64_c(len); ++j)
+ {
+ if (selector(uint64_c(i), uint64_c(j), acForPS))
+ {
+ func( uint64_c(i), uint64_c(j), std::forward<Args>(args)... );
+ }
+ }
+ }
+}
+{%- endfor %}
+
+
+{%- for prop in properties %}
+///Predicate that selects a certain property from a Particle
+class SelectParticle{{prop.name | capFirst}}
+{
+public:
+ using return_type = {{prop.type}};
+ {{prop.type}}& operator()(data::Particle& p) const {return p.get{{prop.name | capFirst}}Ref();}
+ {{prop.type}}& operator()(data::Particle&& p) const {return p.get{{prop.name | capFirst}}Ref();}
+ const {{prop.type}}& operator()(const data::Particle& p) const {return p.get{{prop.name | capFirst}}();}
+};
+{%- endfor %}
+
+} //namespace data
+} //namespace mesa_pd
+} //namespace walberla
diff --git a/python/mesa_pd/templates/data/ShapeStorage.templ.h b/python/mesa_pd/templates/data/ShapeStorage.templ.h
new file mode 100644
index 000000000..8cede0992
--- /dev/null
+++ b/python/mesa_pd/templates/data/ShapeStorage.templ.h
@@ -0,0 +1,114 @@
+//======================================================================================================================
+//
+// This file is part of waLBerla. waLBerla is free software: you can
+// redistribute it and/or modify it under the terms of the GNU General Public
+// License as published by the Free Software Foundation, either version 3 of
+// the License, or (at your option) any later version.
+//
+// waLBerla is distributed in the hope that it will be useful, but WITHOUT
+// ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
+// FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License
+// for more details.
+//
+// You should have received a copy of the GNU General Public License along
+// with waLBerla (see COPYING.txt). If not, see <http://www.gnu.org/licenses/>.
+//
+//! \file GeometryStorage.h
+//! \author Sebastian Eibl <sebastian.eibl@fau.de>
+//
+//======================================================================================================================
+
+//======================================================================================================================
+//
+// THIS FILE IS GENERATED - PLEASE CHANGE THE TEMPLATE !!!
+//
+//======================================================================================================================
+
+#pragma once
+
+#include <mesa_pd/data/DataTypes.h>
+#include <mesa_pd/data/ParticleStorage.h>
+#include <mesa_pd/data/shape/BaseShape.h>
+{%- for shape in shapes %}
+#include <mesa_pd/data/shape/{{shape}}.h>
+{%- endfor %}
+
+#include <core/Abort.h>
+#include <core/debug/Debug.h>
+#include <core/math/AABB.h>
+
+#include <memory>
+#include <vector>
+
+namespace walberla {
+namespace mesa_pd {
+namespace data {
+
+struct ShapeStorage
+{
+ std::vector<std::unique_ptr<BaseShape>> shapes {};
+
+ template <typename ShapeT, typename... Args>
+ size_t create(Args&&... args);
+
+ template <typename ReturnType, typename func>
+ ReturnType singleDispatch( ParticleStorage& ps, size_t idx, func& f );
+
+ template <typename ReturnType, typename func>
+ ReturnType doubleDispatch( ParticleStorage& ps, size_t idx, size_t idy, func& f );
+};
+//Make sure that no two different shapes have the same unique identifier!
+{%- for shape in shapes[1:] %}
+static_assert( {{shapes[0]}}::SHAPE_TYPE != {{shape}}::SHAPE_TYPE, "Shape types have to be different!" );
+{%- endfor %}
+
+template <typename ShapeT, typename... Args>
+size_t ShapeStorage::create(Args&&... args)
+{
+ shapes.push_back(std::make_unique<ShapeT>(std::forward<Args>(args)...));
+ return shapes.size() - 1;
+}
+
+template <typename ReturnType, typename func>
+ReturnType ShapeStorage::singleDispatch( ParticleStorage& ps, size_t idx, func& f )
+{
+ WALBERLA_ASSERT_LESS( idx, ps.size() );
+
+ switch (shapes[ps.getShapeID(idx)]->getShapeType())
+ {
+ {%- for shape in shapes %}
+ case {{shape}}::SHAPE_TYPE : return f(ps, idx, *static_cast<{{shape}}*>(shapes[ps.getShapeID(idx)].get()));
+ {%- endfor %}
+ default : WALBERLA_ABORT("Shape type (" << shapes[ps.getShapeID(idx)]->getShapeType() << ") could not be determined!");
+ }
+}
+
+template <typename ReturnType, typename func>
+ReturnType ShapeStorage::doubleDispatch( ParticleStorage& ps, size_t idx, size_t idy, func& f )
+{
+ WALBERLA_ASSERT_LESS( idx, ps.size() );
+ WALBERLA_ASSERT_LESS( idy, ps.size() );
+
+ switch (shapes[ps.getShapeID(idx)]->getShapeType())
+ {
+ {%- for shape1 in shapes %}
+ case {{shape1}}::SHAPE_TYPE :
+ switch (shapes[ps.getShapeID(idy)]->getShapeType())
+ {
+ {%- for shape2 in shapes %}
+ case {{shape2}}::SHAPE_TYPE : return f(ps,
+ idx,
+ *static_cast<{{shape1}}*>(shapes[ps.getShapeID(idx)].get()),
+ idy,
+ *static_cast<{{shape2}}*>(shapes[ps.getShapeID(idy)].get()));
+ {%- endfor %}
+ default : WALBERLA_ABORT("Shape type (" << shapes[ps.getShapeID(idy)]->getShapeType() << ") could not be determined!");
+ }
+ {%- endfor %}
+ default : WALBERLA_ABORT("Shape type (" << shapes[ps.getShapeID(idx)]->getShapeType() << ") could not be determined!");
+ }
+}
+
+} //namespace data
+} //namespace mesa_pd
+} //namespace walberla
diff --git a/python/mesa_pd/templates/kernel/DoubleCast.templ.h b/python/mesa_pd/templates/kernel/DoubleCast.templ.h
new file mode 100644
index 000000000..68cc2b611
--- /dev/null
+++ b/python/mesa_pd/templates/kernel/DoubleCast.templ.h
@@ -0,0 +1,97 @@
+//======================================================================================================================
+//
+// This file is part of waLBerla. waLBerla is free software: you can
+// redistribute it and/or modify it under the terms of the GNU General Public
+// License as published by the Free Software Foundation, either version 3 of
+// the License, or (at your option) any later version.
+//
+// waLBerla is distributed in the hope that it will be useful, but WITHOUT
+// ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
+// FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License
+// for more details.
+//
+// You should have received a copy of the GNU General Public License along
+// with waLBerla (see COPYING.txt). If not, see <http://www.gnu.org/licenses/>.
+//
+//! \file SingleCast.h
+//! \author Sebastian Eibl <sebastian.eibl@fau.de>
+//
+//======================================================================================================================
+
+//======================================================================================================================
+//
+// THIS FILE IS GENERATED - PLEASE CHANGE THE TEMPLATE !!!
+//
+//======================================================================================================================
+
+#pragma once
+
+#include <mesa_pd/data/DataTypes.h>
+#include <mesa_pd/data/IAccessor.h>
+#include <mesa_pd/data/shape/BaseShape.h>
+{%- for shape in shapes %}
+#include <mesa_pd/data/shape/{{shape}}.h>
+{%- endfor %}
+
+#include <core/Abort.h>
+#include <core/debug/Debug.h>
+
+namespace walberla {
+namespace mesa_pd {
+namespace kernel {
+
+/**
+ * This kernel requires the following particle accessor interface
+ * \code
+ {%- for prop in interface %}
+ {%- if 'g' in prop.access %}
+ * const {{prop.type}}& get{{prop.name | capFirst}}(const size_t p_idx) const;
+ {%- endif %}
+ {%- if 's' in prop.access %}
+ * void set{{prop.name | capFirst}}(const size_t p_idx, const {{prop.type}}& v);
+ {%- endif %}
+ {%- if 'r' in prop.access %}
+ * {{prop.type}}& get{{prop.name | capFirst}}Ref(const size_t p_idx);
+ {%- endif %}
+ *
+ {%- endfor %}
+ * \endcode
+ * \ingroup mesa_pd_kernel
+ */
+class DoubleCast
+{
+public:
+ template <typename Accessor, typename func, typename... Args>
+ auto operator()( size_t idx, size_t idy, Accessor& ac, func& f, Args&&... args );
+};
+
+template <typename Accessor, typename func, typename... Args>
+auto DoubleCast::operator()( size_t idx, size_t idy, Accessor& ac, func& f, Args&&... args )
+{
+ static_assert(std::is_base_of<data::IAccessor, Accessor>::value, "please provide a valid accessor");
+
+ using namespace mesa_pd::data;
+
+ switch (ac.getShape(idx)->getShapeType())
+ {
+ {%- for shape1 in shapes %}
+ case {{shape1}}::SHAPE_TYPE :
+ switch (ac.getShape(idy)->getShapeType())
+ {
+ {%- for shape2 in shapes %}
+ case {{shape2}}::SHAPE_TYPE : return f(idx,
+ idy,
+ *static_cast<{{shape1}}*>(ac.getShape(idx)),
+ *static_cast<{{shape2}}*>(ac.getShape(idy)),
+ std::forward<Args>(args)...);
+ {%- endfor %}
+ default : WALBERLA_ABORT("Shape type (" << ac.getShape(idy)->getShapeType() << ") could not be determined!");
+ }
+ {%- endfor %}
+ default : WALBERLA_ABORT("Shape type (" << ac.getShape(idx)->getShapeType() << ") could not be determined!");
+ }
+}
+
+} //namespace kernel
+} //namespace mesa_pd
+} //namespace walberla
diff --git a/python/mesa_pd/templates/kernel/ExplicitEuler.templ.h b/python/mesa_pd/templates/kernel/ExplicitEuler.templ.h
new file mode 100644
index 000000000..a81e274f3
--- /dev/null
+++ b/python/mesa_pd/templates/kernel/ExplicitEuler.templ.h
@@ -0,0 +1,87 @@
+//======================================================================================================================
+//
+// This file is part of waLBerla. waLBerla is free software: you can
+// redistribute it and/or modify it under the terms of the GNU General Public
+// License as published by the Free Software Foundation, either version 3 of
+// the License, or (at your option) any later version.
+//
+// waLBerla is distributed in the hope that it will be useful, but WITHOUT
+// ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
+// FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License
+// for more details.
+//
+// You should have received a copy of the GNU General Public License along
+// with waLBerla (see COPYING.txt). If not, see <http://www.gnu.org/licenses/>.
+//
+//! \file ExplicitEuler.h
+//! \author Sebastian Eibl <sebastian.eibl@fau.de>
+//
+//======================================================================================================================
+
+//======================================================================================================================
+//
+// THIS FILE IS GENERATED - PLEASE CHANGE THE TEMPLATE !!!
+//
+//======================================================================================================================
+
+#pragma once
+
+#include <mesa_pd/data/DataTypes.h>
+#include <mesa_pd/data/IAccessor.h>
+
+namespace walberla {
+namespace mesa_pd {
+namespace kernel {
+
+/**
+ * Kernel which explicitly integrates all particles in time.
+ * This integrator integrates velocity and position.
+ *
+ * This kernel requires the following particle accessor interface
+ * \code
+ {%- for prop in interface %}
+ {%- if 'g' in prop.access %}
+ * const {{prop.type}}& get{{prop.name | capFirst}}(const size_t p_idx) const;
+ {%- endif %}
+ {%- if 's' in prop.access %}
+ * void set{{prop.name | capFirst}}(const size_t p_idx, const {{prop.type}}& v);
+ {%- endif %}
+ {%- if 'r' in prop.access %}
+ * {{prop.type}}& get{{prop.name | capFirst}}Ref(const size_t p_idx);
+ {%- endif %}
+ *
+ {%- endfor %}
+ * \endcode
+ *
+ * \pre All forces acting on the particles have to be set.
+ * \post All forces are reset to 0.
+ * \ingroup mesa_pd_kernel
+ */
+class ExplicitEuler
+{
+public:
+ explicit ExplicitEuler(const real_t dt) : dt_(dt) {}
+
+ template <typename Accessor>
+ void operator()(const size_t i, Accessor& ac) const;
+private:
+ real_t dt_ = real_t(0.0);
+};
+
+template <typename Accessor>
+inline void ExplicitEuler::operator()(const size_t idx,
+ Accessor& ac) const
+{
+ static_assert(std::is_base_of<data::IAccessor, Accessor>::value, "please provide a valid accessor");
+
+ if (!data::particle_flags::isSet( ac.getFlags(idx), data::particle_flags::FIXED))
+ {
+ ac.setPosition (idx, ac.getInvMass(idx) * ac.getForce(idx) * dt_ * dt_ + ac.getLinearVelocity(idx) * dt_ + ac.getPosition(idx));
+ ac.setLinearVelocity(idx, ac.getInvMass(idx) * ac.getForce(idx) * dt_ + ac.getLinearVelocity(idx));
+ }
+ ac.setForce (idx, Vec3(real_t(0), real_t(0), real_t(0)));
+}
+
+} //namespace kernel
+} //namespace mesa_pd
+} //namespace walberla
diff --git a/python/mesa_pd/templates/kernel/ExplicitEulerWithShape.templ.h b/python/mesa_pd/templates/kernel/ExplicitEulerWithShape.templ.h
new file mode 100644
index 000000000..7fb2d73bc
--- /dev/null
+++ b/python/mesa_pd/templates/kernel/ExplicitEulerWithShape.templ.h
@@ -0,0 +1,102 @@
+//======================================================================================================================
+//
+// This file is part of waLBerla. waLBerla is free software: you can
+// redistribute it and/or modify it under the terms of the GNU General Public
+// License as published by the Free Software Foundation, either version 3 of
+// the License, or (at your option) any later version.
+//
+// waLBerla is distributed in the hope that it will be useful, but WITHOUT
+// ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
+// FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License
+// for more details.
+//
+// You should have received a copy of the GNU General Public License along
+// with waLBerla (see COPYING.txt). If not, see <http://www.gnu.org/licenses/>.
+//
+//! \file ExplicitEulerWithShape.h
+//! \author Sebastian Eibl <sebastian.eibl@fau.de>
+//
+//======================================================================================================================
+
+//======================================================================================================================
+//
+// THIS FILE IS GENERATED - PLEASE CHANGE THE TEMPLATE !!!
+//
+//======================================================================================================================
+
+#pragma once
+
+#include <mesa_pd/data/DataTypes.h>
+#include <mesa_pd/data/IAccessor.h>
+
+namespace walberla {
+namespace mesa_pd {
+namespace kernel {
+
+/**
+ * Kernel which explicitly integrates all particles in time.
+ * This integrator integrates velocity and position as well as angular velocity and rotation.
+ *
+ * This kernel requires the following particle accessor interface
+ * \code
+ {%- for prop in interface %}
+ {%- if 'g' in prop.access %}
+ * const {{prop.type}}& get{{prop.name | capFirst}}(const size_t p_idx) const;
+ {%- endif %}
+ {%- if 's' in prop.access %}
+ * void set{{prop.name | capFirst}}(const size_t p_idx, const {{prop.type}}& v);
+ {%- endif %}
+ {%- if 'r' in prop.access %}
+ * {{prop.type}}& get{{prop.name | capFirst}}Ref(const size_t p_idx);
+ {%- endif %}
+ *
+ {%- endfor %}
+ * \endcode
+ *
+ * \pre All forces and torques acting on the particles have to be set.
+ * \post All forces and torques are reset to 0.
+ * \ingroup mesa_pd_kernel
+ */
+class ExplicitEulerWithShape
+{
+public:
+ explicit ExplicitEulerWithShape(const real_t dt) : dt_(dt) {}
+
+ template <typename Accessor>
+ void operator()(const size_t i, Accessor& ac) const;
+private:
+ real_t dt_ = real_t(0.0);
+};
+
+template <typename Accessor>
+inline void ExplicitEulerWithShape::operator()(const size_t idx,
+ Accessor& ac) const
+{
+ static_assert(std::is_base_of<data::IAccessor, Accessor>::value, "please provide a valid accessor");
+
+ if (!data::particle_flags::isSet( ac.getFlags(idx), data::particle_flags::FIXED))
+ {
+ ac.setPosition (idx, ac.getInvMass(idx) * ac.getForce(idx) * dt_ * dt_ + ac.getLinearVelocity(idx) * dt_ + ac.getPosition(idx));
+ ac.setLinearVelocity(idx, ac.getInvMass(idx) * ac.getForce(idx) * dt_ + ac.getLinearVelocity(idx));
+
+ const Vec3 wdot = math::transformMatrixRART(ac.getRotation(idx).getMatrix(),
+ ac.getInvInertiaBF(idx)) * ac.getTorque(idx);
+
+ // Calculating the rotation angle
+ const Vec3 phi( ac.getAngularVelocity(idx) * dt_ + wdot * dt_ * dt_);
+
+ // Calculating the new orientation
+ auto rotation = ac.getRotation(idx);
+ rotation.rotate( phi );
+ ac.setRotation(idx, rotation);
+
+ ac.setAngularVelocity(idx, wdot * dt_ + ac.getAngularVelocity(idx));
+ }
+
+ ac.setForce (idx, Vec3(real_t(0), real_t(0), real_t(0)));
+ ac.setTorque(idx, Vec3(real_t(0), real_t(0), real_t(0)));
+}
+
+} //namespace kernel
+} //namespace mesa_pd
+} //namespace walberla
diff --git a/python/mesa_pd/templates/kernel/ForceLJ.templ.h b/python/mesa_pd/templates/kernel/ForceLJ.templ.h
new file mode 100644
index 000000000..c0b6234a3
--- /dev/null
+++ b/python/mesa_pd/templates/kernel/ForceLJ.templ.h
@@ -0,0 +1,162 @@
+//======================================================================================================================
+//
+// This file is part of waLBerla. waLBerla is free software: you can
+// redistribute it and/or modify it under the terms of the GNU General Public
+// License as published by the Free Software Foundation, either version 3 of
+// the License, or (at your option) any later version.
+//
+// waLBerla is distributed in the hope that it will be useful, but WITHOUT
+// ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
+// FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License
+// for more details.
+//
+// You should have received a copy of the GNU General Public License along
+// with waLBerla (see COPYING.txt). If not, see <http://www.gnu.org/licenses/>.
+//
+//! \file ForceLJ.h
+//! \author Sebastian Eibl <sebastian.eibl@fau.de>
+//
+//======================================================================================================================
+
+//======================================================================================================================
+//
+// THIS FILE IS GENERATED - PLEASE CHANGE THE TEMPLATE !!!
+//
+//======================================================================================================================
+
+#pragma once
+
+#include <mesa_pd/data/DataTypes.h>
+#include <mesa_pd/data/IAccessor.h>
+
+#include <vector>
+
+namespace walberla {
+namespace mesa_pd {
+namespace kernel {
+
+/**
+ * Kernel which calculates the Lennard Jones froce between two particles.
+ *
+ * This kernel uses the type property of a particle to decide on the material parameters.
+ *
+ * This kernel requires the following particle accessor interface
+ * \code
+ {%- for prop in interface %}
+ {%- if 'g' in prop.access %}
+ * const {{prop.type}}& get{{prop.name | capFirst}}(const size_t p_idx) const;
+ {%- endif %}
+ {%- if 's' in prop.access %}
+ * void set{{prop.name | capFirst}}(const size_t p_idx, const {{prop.type}}& v);
+ {%- endif %}
+ {%- if 'r' in prop.access %}
+ * {{prop.type}}& get{{prop.name | capFirst}}Ref(const size_t p_idx);
+ {%- endif %}
+ *
+ {%- endfor %}
+ * \endcode
+ * \ingroup mesa_pd_kernel
+ */
+class ForceLJ
+{
+public:
+ ForceLJ(const uint_t numParticleTypes);
+ ForceLJ(const ForceLJ& other) = default;
+ ForceLJ(ForceLJ&& other) = default;
+ ForceLJ& operator=(const ForceLJ& other) = default;
+ ForceLJ& operator=(ForceLJ&& other) = default;
+
+ template <typename Accessor>
+ void operator()(const size_t p_idx, const size_t np_idx, Accessor& ac) const;
+
+ {% for param in parameters %}
+ /// assumes this parameter is symmetric
+ void set{{param | capFirst}}(const size_t type1, const size_t type2, const real_t& val);
+ {%- endfor %}
+
+ {% for param in parameters %}
+ real_t get{{param | capFirst}}(const size_t type1, const size_t type2) const;
+ {%- endfor %}
+private:
+ uint_t numParticleTypes_;
+ {% for param in parameters %}
+ std::vector<real_t> {{param}} {};
+ {%- endfor %}
+};
+
+ForceLJ::ForceLJ(const uint_t numParticleTypes)
+{
+ numParticleTypes_ = numParticleTypes;
+ {% for param in parameters %}
+ {{param}}.resize(numParticleTypes * numParticleTypes, real_t(0));
+ {%- endfor %}
+}
+
+{% for param in parameters %}
+inline void ForceLJ::set{{param | capFirst}}(const size_t type1, const size_t type2, const real_t& val)
+{
+ WALBERLA_ASSERT_LESS( type1, numParticleTypes_ );
+ WALBERLA_ASSERT_LESS( type2, numParticleTypes_ );
+ {{param}}[numParticleTypes_*type1 + type2] = val;
+ {{param}}[numParticleTypes_*type2 + type1] = val;
+}
+{%- endfor %}
+
+{% for param in parameters %}
+inline real_t ForceLJ::get{{param | capFirst}}(const size_t type1, const size_t type2) const
+{
+ WALBERLA_ASSERT_LESS( type1, numParticleTypes_ );
+ WALBERLA_ASSERT_LESS( type2, numParticleTypes_ );
+ WALBERLA_ASSERT_FLOAT_EQUAL( {{param}}[numParticleTypes_*type1 + type2],
+ {{param}}[numParticleTypes_*type2 + type1],
+ "parameter matrix for {{param}} not symmetric!");
+ return {{param}}[numParticleTypes_*type1 + type2];
+}
+{%- endfor %}
+
+template <typename Accessor>
+inline void ForceLJ::operator()(const size_t p_idx, const size_t np_idx, Accessor& ac) const
+{
+ static_assert(std::is_base_of<data::IAccessor, Accessor>::value, "please provide a valid accessor");
+
+ if (p_idx != np_idx)
+ {
+ Vec3 dir = ac.getPosition(p_idx) - ac.getPosition(np_idx);
+ const real_t rsq = sqrLength(dir);
+ const real_t sr2 = real_t(1.0) / rsq;
+ const real_t sr2sigma = sr2 * getSigma(ac.getType(p_idx), ac.getType(np_idx)) * getSigma(ac.getType(p_idx), ac.getType(np_idx));
+ const real_t sr6 = sr2sigma * sr2sigma * sr2sigma;
+ const real_t force = real_t(48) * sr6 * ( sr6 - real_t(0.5) ) * sr2 * getEpsilon(ac.getType(p_idx), ac.getType(np_idx));
+ const Vec3 f = force * dir;
+
+#ifdef _OPENMP
+#pragma omp atomic
+#endif
+ ac.getForceRef(p_idx)[0] += f[0];
+#ifdef _OPENMP
+#pragma omp atomic
+#endif
+ ac.getForceRef(p_idx)[1] += f[1];
+#ifdef _OPENMP
+#pragma omp atomic
+#endif
+ ac.getForceRef(p_idx)[2] += f[2];
+
+#ifdef _OPENMP
+#pragma omp atomic
+#endif
+ ac.getForceRef(np_idx)[0] -= f[0];
+#ifdef _OPENMP
+#pragma omp atomic
+#endif
+ ac.getForceRef(np_idx)[1] -= f[1];
+#ifdef _OPENMP
+#pragma omp atomic
+#endif
+ ac.getForceRef(np_idx)[2] -= f[2];
+ }
+}
+
+} //namespace kernel
+} //namespace mesa_pd
+} //namespace walberla
diff --git a/python/mesa_pd/templates/kernel/HeatConduction.templ.h b/python/mesa_pd/templates/kernel/HeatConduction.templ.h
new file mode 100644
index 000000000..8fe94e6da
--- /dev/null
+++ b/python/mesa_pd/templates/kernel/HeatConduction.templ.h
@@ -0,0 +1,138 @@
+//======================================================================================================================
+//
+// This file is part of waLBerla. waLBerla is free software: you can
+// redistribute it and/or modify it under the terms of the GNU General Public
+// License as published by the Free Software Foundation, either version 3 of
+// the License, or (at your option) any later version.
+//
+// waLBerla is distributed in the hope that it will be useful, but WITHOUT
+// ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
+// FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License
+// for more details.
+//
+// You should have received a copy of the GNU General Public License along
+// with waLBerla (see COPYING.txt). If not, see <http://www.gnu.org/licenses/>.
+//
+//! \file HeatConduction.h
+//! \author Sebastian Eibl <sebastian.eibl@fau.de>
+//
+//======================================================================================================================
+
+//======================================================================================================================
+//
+// THIS FILE IS GENERATED - PLEASE CHANGE THE TEMPLATE !!!
+//
+//======================================================================================================================
+
+#pragma once
+
+#include <mesa_pd/common/ParticleFunctions.h>
+#include <mesa_pd/data/DataTypes.h>
+#include <mesa_pd/data/IAccessor.h>
+
+#include <core/math/Constants.h>
+#include <vector>
+
+namespace walberla {
+namespace mesa_pd {
+namespace kernel {
+
+/**
+ * Basic DEM kernel
+ *
+ * This DEM kernel supports spring&dashpot in normal direction as well as friction in tangential direction.
+ *
+ * \code
+ {%- for prop in interface %}
+ {%- if 'g' in prop.access %}
+ * const {{prop.type}}& get{{prop.name | capFirst}}(const size_t p_idx) const;
+ {%- endif %}
+ {%- if 's' in prop.access %}
+ * void set{{prop.name | capFirst}}(const size_t p_idx, const {{prop.type}}& v);
+ {%- endif %}
+ {%- if 'r' in prop.access %}
+ * {{prop.type}}& get{{prop.name | capFirst}}Ref(const size_t p_idx);
+ {%- endif %}
+ *
+ {%- endfor %}
+ * \endcode
+ * \ingroup mesa_pd_kernel
+ */
+class HeatConduction
+{
+public:
+ HeatConduction(const uint_t numParticleTypes);
+ HeatConduction(const HeatConduction& other) = default;
+ HeatConduction(HeatConduction&& other) = default;
+ HeatConduction& operator=(const HeatConduction& other) = default;
+ HeatConduction& operator=(HeatConduction&& other) = default;
+
+ template <typename Accessor>
+ void operator()(const size_t p_idx1,
+ const size_t p_idx2,
+ Accessor& ac) const;
+
+ {% for param in parameters %}
+ /// assumes this parameter is symmetric
+ void set{{param | capFirst}}(const size_t type1, const size_t type2, const real_t& val);
+ {%- endfor %}
+
+ {% for param in parameters %}
+ real_t get{{param | capFirst}}(const size_t type1, const size_t type2) const;
+ {%- endfor %}
+
+private:
+ uint_t numParticleTypes_;
+ {% for param in parameters %}
+ std::vector<real_t> {{param}}_ {};
+ {%- endfor %}
+};
+
+HeatConduction::HeatConduction(const uint_t numParticleTypes)
+{
+ numParticleTypes_ = numParticleTypes;
+ {% for param in parameters %}
+ {{param}}_.resize(numParticleTypes * numParticleTypes, real_t(0));
+ {%- endfor %}
+}
+
+{% for param in parameters %}
+inline void HeatConduction::set{{param | capFirst}}(const size_t type1, const size_t type2, const real_t& val)
+{
+ WALBERLA_ASSERT_LESS( type1, numParticleTypes_ );
+ WALBERLA_ASSERT_LESS( type2, numParticleTypes_ );
+ {{param}}_[numParticleTypes_*type1 + type2] = val;
+ {{param}}_[numParticleTypes_*type2 + type1] = val;
+}
+{%- endfor %}
+
+{% for param in parameters %}
+inline real_t HeatConduction::get{{param | capFirst}}(const size_t type1, const size_t type2) const
+{
+ WALBERLA_ASSERT_LESS( type1, numParticleTypes_ );
+ WALBERLA_ASSERT_LESS( type2, numParticleTypes_ );
+ WALBERLA_ASSERT_FLOAT_EQUAL( {{param}}_[numParticleTypes_*type1 + type2],
+ {{param}}_[numParticleTypes_*type2 + type1],
+ "parameter matrix for {{param}} not symmetric!");
+ return {{param}}_[numParticleTypes_*type1 + type2];
+}
+{%- endfor %}
+
+template <typename Accessor>
+inline void HeatConduction::operator()(const size_t p_idx1,
+ const size_t p_idx2,
+ Accessor& ac) const
+{
+ static_assert(std::is_base_of<data::IAccessor, Accessor>::value, "please provide a valid accessor");
+
+ if (p_idx1 != p_idx2)
+ {
+ auto deltaT = ac.getTemperature(p_idx1) - ac.getTemperature(p_idx2);
+ ac.getHeatFluxRef(p_idx1) -= deltaT * getConductance(ac.getType(p_idx1), ac.getType(p_idx2));
+ ac.getHeatFluxRef(p_idx2) += deltaT * getConductance(ac.getType(p_idx1), ac.getType(p_idx2));
+ }
+}
+
+} //namespace kernel
+} //namespace mesa_pd
+} //namespace walberla
diff --git a/python/mesa_pd/templates/kernel/InsertParticleIntoLinkedCells.templ.h b/python/mesa_pd/templates/kernel/InsertParticleIntoLinkedCells.templ.h
new file mode 100644
index 000000000..ac2bcc557
--- /dev/null
+++ b/python/mesa_pd/templates/kernel/InsertParticleIntoLinkedCells.templ.h
@@ -0,0 +1,94 @@
+//======================================================================================================================
+//
+// This file is part of waLBerla. waLBerla is free software: you can
+// redistribute it and/or modify it under the terms of the GNU General Public
+// License as published by the Free Software Foundation, either version 3 of
+// the License, or (at your option) any later version.
+//
+// waLBerla is distributed in the hope that it will be useful, but WITHOUT
+// ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
+// FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License
+// for more details.
+//
+// You should have received a copy of the GNU General Public License along
+// with waLBerla (see COPYING.txt). If not, see <http://www.gnu.org/licenses/>.
+//
+//! \file InsertParticleIntoLinkedCells.h
+//! \author Sebastian Eibl <sebastian.eibl@fau.de>
+//
+//======================================================================================================================
+
+//======================================================================================================================
+//
+// THIS FILE IS GENERATED - PLEASE CHANGE THE TEMPLATE !!!
+//
+//======================================================================================================================
+
+#pragma once
+
+#include <mesa_pd/data/DataTypes.h>
+#include <mesa_pd/data/IAccessor.h>
+#include <mesa_pd/data/LinkedCells.h>
+
+#include <vector>
+
+namespace walberla {
+namespace mesa_pd {
+namespace kernel {
+
+/**
+ * Inserts a particle into the data::LinkedCells data structure
+ *
+ * \attention Make sure to data::LinkedCells::clear() the data structure before
+ * reinserting new particles.
+ *
+ * This kernel requires the following particle accessor interface
+ * \code
+ {%- for prop in interface %}
+ {%- if 'g' in prop.access %}
+ * const {{prop.type}}& get{{prop.name | capFirst}}(const size_t p_idx) const;
+ {%- endif %}
+ {%- if 's' in prop.access %}
+ * void set{{prop.name | capFirst}}(const size_t p_idx, const {{prop.type}}& v);
+ {%- endif %}
+ {%- if 'r' in prop.access %}
+ * {{prop.type}}& get{{prop.name | capFirst}}Ref(const size_t p_idx);
+ {%- endif %}
+ *
+ {%- endfor %}
+ * \endcode
+ * \ingroup mesa_pd_kernel
+ */
+class InsertParticleIntoLinkedCells
+{
+public:
+ template <typename Accessor>
+ void operator()(const size_t p_idx, Accessor& ac, data::LinkedCells& lc) const;
+};
+
+template <typename Accessor>
+inline void InsertParticleIntoLinkedCells::operator()(const size_t p_idx, Accessor& ac, data::LinkedCells& lc) const
+{
+ static_assert(std::is_base_of<data::IAccessor, Accessor>::value, "please provide a valid accessor");
+
+ const auto& minCorner = lc.domain_.minCorner();
+ if (data::particle_flags::isSet(ac.getFlags(p_idx), data::particle_flags::INFINITE))
+ {
+ ac.setNextParticle(p_idx, lc.infiniteParticles_.exchange(int_c(p_idx)));
+ } else
+ {
+ {%- for dim in range(3) %}
+ int hash{{dim}} = static_cast<int>(std::floor((ac.getPosition(p_idx)[{{dim}}] - minCorner[{{dim}}]) * lc.invCellDiameter_[{{dim}}]));
+ {%- endfor %}
+ {%- for dim in range(3) %}
+ if (hash{{dim}} < 0) hash{{dim}} = 0;
+ if (hash{{dim}} >= lc.numCellsPerDim_[{{dim}}]) hash{{dim}} = lc.numCellsPerDim_[{{dim}}] - 1;
+ {%- endfor %}
+ int cell_idx = getCellIdx(lc, hash0, hash1, hash2);
+ ac.setNextParticle(p_idx, lc.cells_[uint_c(cell_idx)].exchange(int_c(p_idx)));
+ }
+}
+
+} //namespace kernel
+} //namespace mesa_pd
+} //namespace walberla
diff --git a/python/mesa_pd/templates/kernel/LinearSpringDashpot.templ.h b/python/mesa_pd/templates/kernel/LinearSpringDashpot.templ.h
new file mode 100644
index 000000000..f5c1b8e22
--- /dev/null
+++ b/python/mesa_pd/templates/kernel/LinearSpringDashpot.templ.h
@@ -0,0 +1,253 @@
+//======================================================================================================================
+//
+// This file is part of waLBerla. waLBerla is free software: you can
+// redistribute it and/or modify it under the terms of the GNU General Public
+// License as published by the Free Software Foundation, either version 3 of
+// the License, or (at your option) any later version.
+//
+// waLBerla is distributed in the hope that it will be useful, but WITHOUT
+// ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
+// FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License
+// for more details.
+//
+// You should have received a copy of the GNU General Public License along
+// with waLBerla (see COPYING.txt). If not, see <http://www.gnu.org/licenses/>.
+//
+//! \file LinearSpringDashpot.h
+//! \author Sebastian Eibl <sebastian.eibl@fau.de>
+//! \author Christoph Rettinger <christoph.rettinger@fau.de>
+//
+//======================================================================================================================
+
+//======================================================================================================================
+//
+// THIS FILE IS GENERATED - PLEASE CHANGE THE TEMPLATE !!!
+//
+//======================================================================================================================
+
+#pragma once
+
+#include <mesa_pd/common/ParticleFunctions.h>
+#include <mesa_pd/data/DataTypes.h>
+#include <mesa_pd/data/IAccessor.h>
+
+#include <core/logging/Logging.h>
+
+#include <vector>
+
+namespace walberla {
+namespace mesa_pd {
+namespace kernel {
+
+/**
+ * Advanced DEM kernel
+ *
+ * This model is a linearized version of
+ * Edward Biegert, Bernhard Vowinckel, Eckart Meiburg
+ * A collision model for grain-resolving simulations of flows over dense, mobile, polydisperse granular sediment beds
+ * https://doi.org/10.1016/j.jcp.2017.03.035
+ *
+ * \code
+ {%- for prop in interface %}
+ {%- if 'g' in prop.access %}
+ * const {{prop.type}}& get{{prop.name | capFirst}}(const size_t p_idx) const;
+ {%- endif %}
+ {%- if 's' in prop.access %}
+ * void set{{prop.name | capFirst}}(const size_t p_idx, const {{prop.type}}& v);
+ {%- endif %}
+ {%- if 'r' in prop.access %}
+ * {{prop.type}}& get{{prop.name | capFirst}}Ref(const size_t p_idx);
+ {%- endif %}
+ *
+ {%- endfor %}
+ * \endcode
+ * \ingroup mesa_pd_kernel
+ */
+class LinearSpringDashpot
+{
+public:
+ LinearSpringDashpot(const uint_t numParticleTypes);
+ LinearSpringDashpot(const LinearSpringDashpot& other) = default;
+ LinearSpringDashpot(LinearSpringDashpot&& other) = default;
+ LinearSpringDashpot& operator=(const LinearSpringDashpot& other) = default;
+ LinearSpringDashpot& operator=(LinearSpringDashpot&& other) = default;
+
+ template <typename Accessor>
+ void operator()(const size_t p_idx1,
+ const size_t p_idx2,
+ Accessor& ac,
+ const Vec3& contactPoint,
+ const Vec3& contactNormal,
+ const real_t& penetrationDepth,
+ const real_t& dt) const;
+
+ {% for param in parameters %}
+ /// assumes this parameter is symmetric
+ void set{{param | capFirst}}(const size_t type1, const size_t type2, const real_t& val);
+ {%- endfor %}
+
+ {% for param in parameters %}
+ real_t get{{param | capFirst}}(const size_t type1, const size_t type2) const;
+ {%- endfor %}
+private:
+ uint_t numParticleTypes_;
+ {% for param in parameters %}
+ std::vector<real_t> {{param}}_ {};
+ {%- endfor %}
+};
+
+LinearSpringDashpot::LinearSpringDashpot(const uint_t numParticleTypes)
+{
+ numParticleTypes_ = numParticleTypes;
+ {% for param in parameters %}
+ {{param}}_.resize(numParticleTypes * numParticleTypes, real_t(0));
+ {%- endfor %}
+}
+
+{% for param in parameters %}
+inline void LinearSpringDashpot::set{{param | capFirst}}(const size_t type1, const size_t type2, const real_t& val)
+{
+ WALBERLA_ASSERT_LESS( type1, numParticleTypes_ );
+ WALBERLA_ASSERT_LESS( type2, numParticleTypes_ );
+ {{param}}_[numParticleTypes_*type1 + type2] = val;
+ {{param}}_[numParticleTypes_*type2 + type1] = val;
+}
+{%- endfor %}
+
+{% for param in parameters %}
+inline real_t LinearSpringDashpot::get{{param | capFirst}}(const size_t type1, const size_t type2) const
+{
+ WALBERLA_ASSERT_LESS( type1, numParticleTypes_ );
+ WALBERLA_ASSERT_LESS( type2, numParticleTypes_ );
+ WALBERLA_ASSERT_FLOAT_EQUAL( {{param}}_[numParticleTypes_*type1 + type2],
+ {{param}}_[numParticleTypes_*type2 + type1],
+ "parameter matrix for {{param}} not symmetric!");
+ return {{param}}_[numParticleTypes_*type1 + type2];
+}
+{%- endfor %}
+
+template <typename Accessor>
+inline void LinearSpringDashpot::operator()(const size_t p_idx1,
+ const size_t p_idx2,
+ Accessor& ac,
+ const Vec3& contactPoint,
+ const Vec3& contactNormal,
+ const real_t& penetrationDepth,
+ const real_t& dt) const
+{
+ static_assert(std::is_base_of<data::IAccessor, Accessor>::value, "please provide a valid accessor");
+
+ if (p_idx1 != p_idx2)
+ {
+
+ WALBERLA_ASSERT_FLOAT_EQUAL(math::sqrLength(contactNormal), real_t(1));
+
+ real_t delta = -penetrationDepth;
+ if (delta < real_t(0)) return;
+
+
+ const Vec3 relVel ( -(getVelocityAtWFPoint(p_idx1, ac, contactPoint) - getVelocityAtWFPoint(p_idx2, ac, contactPoint)) );
+ const Vec3 relVelN( math::dot(relVel, contactNormal) * contactNormal );
+ const Vec3 relVelT( relVel - relVelN );
+
+
+ // calculate the normal force based on a linear spring-dashpot force model
+ Vec3 fN = getStiffnessN(ac.getType(p_idx1), ac.getType(p_idx2)) * delta * contactNormal +
+ getDampingN(ac.getType(p_idx1), ac.getType(p_idx2)) * relVelN;
+
+
+ // get further collision properties from the contact history or initialize them
+ Vec3 tangentialSpringDisplacement( real_t(0) );
+ real_t impactVelocityMagnitude(real_t(0));
+ bool isSticking = false;
+ auto contactHistory = ac.getOldContactHistoryRef(p_idx1).find(ac.getUid(p_idx2)); //TODO assert symmetry
+ if(contactHistory != ac.getOldContactHistoryRef(p_idx1).end())
+ {
+ // get infos from the contact history
+ tangentialSpringDisplacement = contactHistory->second.getTangentialSpringDisplacement();
+ isSticking = contactHistory->second.getIsSticking();
+ impactVelocityMagnitude = contactHistory->second.getImpactVelocityMagnitude();
+
+ }else
+ {
+ // new contact: initialize values
+ impactVelocityMagnitude = relVel.length();
+ }
+
+ //TODO: move to own tangential integration kernel?
+ Vec3 rotatedTangentialDisplacement = tangentialSpringDisplacement - contactNormal * (contactNormal * tangentialSpringDisplacement);
+ Vec3 newTangentialSpringDisplacement = rotatedTangentialDisplacement.sqrLength() <= real_t(0) ? // avoid division by zero
+ Vec3(real_t(0)) :
+ ( rotatedTangentialDisplacement * std::sqrt((tangentialSpringDisplacement.sqrLength() / rotatedTangentialDisplacement.sqrLength())));
+ newTangentialSpringDisplacement = newTangentialSpringDisplacement + dt * relVelT;
+
+ // calculate the tangential force based on a linear spring-dashpot force model
+ const real_t stiffnessT = getStiffnessT(ac.getType(p_idx1), ac.getType(p_idx2));
+ const real_t dampingT = getDampingT(ac.getType(p_idx1), ac.getType(p_idx2));
+ Vec3 fTLS = stiffnessT * newTangentialSpringDisplacement +
+ dampingT * relVelT;
+
+ const Vec3 t = fTLS.getNormalizedOrZero(); // tangential unit vector
+
+ // calculate friction force
+ const real_t fFrictionAbsStatic = getFrictionCoefficientStatic(ac.getType(p_idx1), ac.getType(p_idx2)) * fN.length(); // sticking, rolling
+ const real_t fFrictionAbsDynamic = getFrictionCoefficientDynamic(ac.getType(p_idx1), ac.getType(p_idx2)) * fN.length(); // sliding
+
+ const real_t tangentialVelocityThreshold = real_t(1e-8);
+
+ real_t fFrictionAbs;
+ if( isSticking && relVelT.length() < tangentialVelocityThreshold && fTLS.length() < fFrictionAbsStatic )
+ {
+ fFrictionAbs = fFrictionAbsStatic;
+ }
+ else if( isSticking && fTLS.length() < fFrictionAbsDynamic )
+ {
+ // sticking
+ fFrictionAbs = fFrictionAbsDynamic;
+ }
+ else
+ {
+ // slipping
+ fFrictionAbs = fFrictionAbsDynamic;
+
+ isSticking = false;
+
+ // reset displacement vector
+ if(stiffnessT > real_t(0) ) newTangentialSpringDisplacement = ( fFrictionAbs * t - dampingT * relVelT ) / stiffnessT;
+
+ // if tangential force falls below coulomb limit, we are back in sticking
+ if( fTLS.length() < fFrictionAbsDynamic )
+ {
+ //TODO really?
+ isSticking = true;
+ }
+ }
+
+ const real_t fTabs( std::min( fTLS.length(), fFrictionAbs) );
+ const Vec3 fT ( fTabs * t );
+
+ //TODO check if tangential spring displacement is same for symmetric case
+ auto& ch1 = ac.getNewContactHistoryRef(p_idx1)[ac.getUid(p_idx2)];
+ ch1.setTangentialSpringDisplacement(newTangentialSpringDisplacement);
+ ch1.setIsSticking(isSticking);
+ ch1.setImpactVelocityMagnitude(impactVelocityMagnitude);
+
+ auto& ch2 = ac.getNewContactHistoryRef(p_idx2)[ac.getUid(p_idx1)];
+ ch2.setTangentialSpringDisplacement(newTangentialSpringDisplacement);
+ ch2.setIsSticking(isSticking);
+ ch2.setImpactVelocityMagnitude(impactVelocityMagnitude);
+
+ // Add normal force at contact point
+ addForceAtWFPosAtomic( p_idx1, ac, fN, contactPoint );
+ addForceAtWFPosAtomic( p_idx2, ac, -fN, contactPoint );
+
+ // Add tangential force at contact point
+ addForceAtWFPosAtomic( p_idx1, ac, fT, contactPoint );
+ addForceAtWFPosAtomic( p_idx2, ac, -fT, contactPoint );
+
+ }
+}
+
+} //namespace kernel
+} //namespace mesa_pd
+} //namespace walberla
diff --git a/python/mesa_pd/templates/kernel/NonLinearSpringDashpot.templ.h b/python/mesa_pd/templates/kernel/NonLinearSpringDashpot.templ.h
new file mode 100644
index 000000000..45318c780
--- /dev/null
+++ b/python/mesa_pd/templates/kernel/NonLinearSpringDashpot.templ.h
@@ -0,0 +1,273 @@
+//======================================================================================================================
+//
+// This file is part of waLBerla. waLBerla is free software: you can
+// redistribute it and/or modify it under the terms of the GNU General Public
+// License as published by the Free Software Foundation, either version 3 of
+// the License, or (at your option) any later version.
+//
+// waLBerla is distributed in the hope that it will be useful, but WITHOUT
+// ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
+// FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License
+// for more details.
+//
+// You should have received a copy of the GNU General Public License along
+// with waLBerla (see COPYING.txt). If not, see <http://www.gnu.org/licenses/>.
+//
+//! \file NonLinearSpringDashpot.h
+//! \author Sebastian Eibl <sebastian.eibl@fau.de>
+//! \author Christoph Rettinger <christoph.rettinger@fau.de>
+//
+//======================================================================================================================
+
+//======================================================================================================================
+//
+// THIS FILE IS GENERATED - PLEASE CHANGE THE TEMPLATE !!!
+//
+//======================================================================================================================
+
+#pragma once
+
+#include <mesa_pd/common/ParticleFunctions.h>
+#include <mesa_pd/data/DataTypes.h>
+#include <mesa_pd/data/IAccessor.h>
+
+#include <core/logging/Logging.h>
+
+#include <vector>
+
+namespace walberla {
+namespace mesa_pd {
+namespace kernel {
+
+/**
+ * Advanced DEM kernel
+ *
+ * This model is the model from
+ * Edward Biegert, Bernhard Vowinckel, Eckart Meiburg
+ * A collision model for grain-resolving simulations of flows over dense, mobile, polydisperse granular sediment beds
+ * https://doi.org/10.1016/j.jcp.2017.03.035
+ *
+ * \code
+ {%- for prop in interface %}
+ {%- if 'g' in prop.access %}
+ * const {{prop.type}}& get{{prop.name | capFirst}}(const size_t p_idx) const;
+ {%- endif %}
+ {%- if 's' in prop.access %}
+ * void set{{prop.name | capFirst}}(const size_t p_idx, const {{prop.type}}& v);
+ {%- endif %}
+ {%- if 'r' in prop.access %}
+ * {{prop.type}}& get{{prop.name | capFirst}}Ref(const size_t p_idx);
+ {%- endif %}
+ *
+ {%- endfor %}
+ * \endcode
+ * \ingroup mesa_pd_kernel
+ */
+class NonLinearSpringDashpot
+{
+public:
+ NonLinearSpringDashpot(const uint_t numParticleTypes, const real_t collisionTime);
+ NonLinearSpringDashpot(const NonLinearSpringDashpot& other) = default;
+ NonLinearSpringDashpot(NonLinearSpringDashpot&& other) = default;
+ NonLinearSpringDashpot& operator=(const NonLinearSpringDashpot& other) = default;
+ NonLinearSpringDashpot& operator=(NonLinearSpringDashpot&& other) = default;
+
+ template <typename Accessor>
+ void operator()(const size_t p_idx1,
+ const size_t p_idx2,
+ Accessor& ac,
+ const Vec3& contactPoint,
+ const Vec3& contactNormal,
+ const real_t& penetrationDepth,
+ const real_t& dt) const;
+
+ void setCOR(const size_t type1, const size_t type2, const real_t& val);
+ {% for param in parameters %}
+ /// assumes this parameter is symmetric
+ void set{{param | capFirst}}(const size_t type1, const size_t type2, const real_t& val);
+ {%- endfor %}
+
+ {% for param in parameters %}
+ real_t get{{param | capFirst}}(const size_t type1, const size_t type2) const;
+ {%- endfor %}
+private:
+ uint_t numParticleTypes_;
+ real_t collisionTime_;
+ {% for param in parameters %}
+ std::vector<real_t> {{param}}_ {};
+ {%- endfor %}
+};
+
+NonLinearSpringDashpot::NonLinearSpringDashpot(const uint_t numParticleTypes, const real_t collisionTime)
+{
+ numParticleTypes_ = numParticleTypes;
+ {% for param in parameters %}
+ {{param}}_.resize(numParticleTypes * numParticleTypes, real_t(0));
+ {%- endfor %}
+ collisionTime_ = collisionTime;
+}
+
+inline void NonLinearSpringDashpot::setCOR(const size_t type1, const size_t type2, const real_t& val)
+{
+ auto lnVal = std::log(val);
+ auto lnValSqr = lnVal * lnVal;
+ setLnCORsqr(type1, type2, lnValSqr);
+}
+
+{% for param in parameters %}
+inline void NonLinearSpringDashpot::set{{param | capFirst}}(const size_t type1, const size_t type2, const real_t& val)
+{
+ WALBERLA_ASSERT_LESS( type1, numParticleTypes_ );
+ WALBERLA_ASSERT_LESS( type2, numParticleTypes_ );
+ {{param}}_[numParticleTypes_*type1 + type2] = val;
+ {{param}}_[numParticleTypes_*type2 + type1] = val;
+}
+{%- endfor %}
+
+{% for param in parameters %}
+inline real_t NonLinearSpringDashpot::get{{param | capFirst}}(const size_t type1, const size_t type2) const
+{
+ WALBERLA_ASSERT_LESS( type1, numParticleTypes_ );
+ WALBERLA_ASSERT_LESS( type2, numParticleTypes_ );
+ WALBERLA_ASSERT_FLOAT_EQUAL( {{param}}_[numParticleTypes_*type1 + type2],
+ {{param}}_[numParticleTypes_*type2 + type1],
+ "parameter matrix for {{param}} not symmetric!");
+ return {{param}}_[numParticleTypes_*type1 + type2];
+}
+{%- endfor %}
+
+template <typename Accessor>
+inline void NonLinearSpringDashpot::operator()(const size_t p_idx1,
+ const size_t p_idx2,
+ Accessor& ac,
+ const Vec3& contactPoint,
+ const Vec3& contactNormal,
+ const real_t& penetrationDepth,
+ const real_t& dt) const
+{
+ static_assert(std::is_base_of<data::IAccessor, Accessor>::value, "please provide a valid accessor");
+
+ if (p_idx1 != p_idx2)
+ {
+
+ WALBERLA_ASSERT_FLOAT_EQUAL(math::sqrLength(contactNormal), real_t(1));
+
+ real_t delta = -penetrationDepth;
+ if (delta < real_t(0)) return;
+
+
+ const Vec3 relVel ( -(getVelocityAtWFPoint(p_idx1, ac, contactPoint) - getVelocityAtWFPoint(p_idx2, ac, contactPoint)) );
+ const Vec3 relVelN( math::dot(relVel, contactNormal) * contactNormal );
+ const Vec3 relVelT( relVel - relVelN );
+
+ // get further collision properties from the contact history or initialize them
+ Vec3 tangentialSpringDisplacement( real_t(0) );
+ real_t impactVelocityMagnitude(real_t(0));
+ bool isSticking = false;
+ auto contactHistory = ac.getOldContactHistoryRef(p_idx1).find(ac.getUid(p_idx2)); //TODO assert symmetry
+ if(contactHistory != ac.getOldContactHistoryRef(p_idx1).end())
+ {
+ // get infos from the contact history
+ tangentialSpringDisplacement = contactHistory->second.getTangentialSpringDisplacement();
+ isSticking = contactHistory->second.getIsSticking();
+ impactVelocityMagnitude = contactHistory->second.getImpactVelocityMagnitude();
+
+ }else
+ {
+ // new contact: initialize values
+ impactVelocityMagnitude = relVel.length();
+ }
+
+ // ACTM: adapt collision coefficients
+ const real_t A = real_t(0.716);
+ const real_t B = real_t(0.830);
+ const real_t C = real_t(0.744);
+ const real_t alpha = real_t(1.111);
+ const real_t tau_c0 = real_t(3.218);
+ const real_t nu = getLnCORsqr(ac.getType(p_idx1), ac.getType(p_idx2));
+ const real_t lambda = (-real_t(0.5) * C * nu + std::sqrt(real_t(0.25) * C * C * nu * nu + alpha * alpha * tau_c0 * tau_c0 * nu)) / (alpha * alpha * tau_c0 * tau_c0);
+ const real_t tStar = std::sqrt(real_t(1) - A * lambda - B * lambda * lambda) * collisionTime_ / tau_c0;
+ const real_t meff = getMeff(ac.getType(p_idx1), ac.getType(p_idx2));
+ const real_t dn = real_t(2) * lambda * meff / tStar;
+ const real_t kn = meff / std::sqrt(impactVelocityMagnitude * std::pow(tStar, real_t(5)));
+
+ // calculate the normal force based on a non-linear spring-dashpot force model
+ Vec3 fN = kn * std::pow(delta, real_t(3)/real_t(2)) * contactNormal + dn * relVelN;
+
+ //TODO: move to own tangential integration kernel?
+ Vec3 rotatedTangentialDisplacement = tangentialSpringDisplacement - contactNormal * (contactNormal * tangentialSpringDisplacement);
+ Vec3 newTangentialSpringDisplacement = rotatedTangentialDisplacement.sqrLength() <= real_t(0) ? // avoid division by zero
+ Vec3(real_t(0)) :
+ ( rotatedTangentialDisplacement * std::sqrt((tangentialSpringDisplacement.sqrLength() / rotatedTangentialDisplacement.sqrLength())));
+ newTangentialSpringDisplacement = newTangentialSpringDisplacement + dt * relVelT;
+
+ // calculate the tangential force based on a linear spring-dashpot force model
+ const real_t stiffnessT = getStiffnessT(ac.getType(p_idx1), ac.getType(p_idx2));
+ const real_t dampingT = getDampingT(ac.getType(p_idx1), ac.getType(p_idx2));
+ Vec3 fTLS = stiffnessT * newTangentialSpringDisplacement +
+ dampingT * relVelT;
+
+ const Vec3 t = fTLS.getNormalizedOrZero(); // tangential unit vector
+
+ // calculate friction force
+ const real_t fFrictionAbsStatic = getFrictionCoefficientStatic(ac.getType(p_idx1), ac.getType(p_idx2)) * fN.length(); // sticking, rolling
+ const real_t fFrictionAbsDynamic = getFrictionCoefficientDynamic(ac.getType(p_idx1), ac.getType(p_idx2)) * fN.length(); // sliding
+
+ const real_t tangentialVelocityThreshold = real_t(1e-8);
+
+ real_t fFrictionAbs;
+ if( isSticking && relVelT.length() < tangentialVelocityThreshold && fTLS.length() < fFrictionAbsStatic )
+ {
+ fFrictionAbs = fFrictionAbsStatic;
+ }
+ else if( isSticking && fTLS.length() < fFrictionAbsDynamic )
+ {
+ // sticking
+ fFrictionAbs = fFrictionAbsDynamic;
+ }
+ else
+ {
+ // slipping
+ fFrictionAbs = fFrictionAbsDynamic;
+
+ isSticking = false;
+
+ // reset displacement vector
+ if(stiffnessT > real_t(0) ) newTangentialSpringDisplacement = ( fFrictionAbs * t - dampingT * relVelT ) / stiffnessT;
+
+ // if tangential force falls below coulomb limit, we are back in sticking
+ if( fTLS.length() < fFrictionAbsDynamic )
+ {
+ //TODO really?
+ isSticking = true;
+ }
+ }
+
+ const real_t fTabs( std::min( fTLS.length(), fFrictionAbs) );
+ const Vec3 fT ( fTabs * t );
+
+ //TODO check if tangential spring displacement is same for symmetric case
+ auto& ch1 = ac.getNewContactHistoryRef(p_idx1)[ac.getUid(p_idx2)];
+ ch1.setTangentialSpringDisplacement(newTangentialSpringDisplacement);
+ ch1.setIsSticking(isSticking);
+ ch1.setImpactVelocityMagnitude(impactVelocityMagnitude);
+
+ auto& ch2 = ac.getNewContactHistoryRef(p_idx2)[ac.getUid(p_idx1)];
+ ch2.setTangentialSpringDisplacement(newTangentialSpringDisplacement);
+ ch2.setIsSticking(isSticking);
+ ch2.setImpactVelocityMagnitude(impactVelocityMagnitude);
+
+ // Add normal force at contact point
+ addForceAtWFPosAtomic( p_idx1, ac, fN, contactPoint );
+ addForceAtWFPosAtomic( p_idx2, ac, -fN, contactPoint );
+
+ // Add tangential force at contact point
+ addForceAtWFPosAtomic( p_idx1, ac, fT, contactPoint );
+ addForceAtWFPosAtomic( p_idx2, ac, -fT, contactPoint );
+
+ }
+}
+
+} //namespace kernel
+} //namespace mesa_pd
+} //namespace walberla
diff --git a/python/mesa_pd/templates/kernel/SingleCast.templ.h b/python/mesa_pd/templates/kernel/SingleCast.templ.h
new file mode 100644
index 000000000..d9d771fd9
--- /dev/null
+++ b/python/mesa_pd/templates/kernel/SingleCast.templ.h
@@ -0,0 +1,85 @@
+//======================================================================================================================
+//
+// This file is part of waLBerla. waLBerla is free software: you can
+// redistribute it and/or modify it under the terms of the GNU General Public
+// License as published by the Free Software Foundation, either version 3 of
+// the License, or (at your option) any later version.
+//
+// waLBerla is distributed in the hope that it will be useful, but WITHOUT
+// ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
+// FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License
+// for more details.
+//
+// You should have received a copy of the GNU General Public License along
+// with waLBerla (see COPYING.txt). If not, see <http://www.gnu.org/licenses/>.
+//
+//! \file SingleCast.h
+//! \author Sebastian Eibl <sebastian.eibl@fau.de>
+//
+//======================================================================================================================
+
+//======================================================================================================================
+//
+// THIS FILE IS GENERATED - PLEASE CHANGE THE TEMPLATE !!!
+//
+//======================================================================================================================
+
+#pragma once
+
+#include <mesa_pd/data/DataTypes.h>
+#include <mesa_pd/data/IAccessor.h>
+#include <mesa_pd/data/shape/BaseShape.h>
+{%- for shape in shapes %}
+#include <mesa_pd/data/shape/{{shape}}.h>
+{%- endfor %}
+
+#include <core/Abort.h>
+#include <core/debug/Debug.h>
+
+namespace walberla {
+namespace mesa_pd {
+namespace kernel {
+
+/**
+ * This kernel requires the following particle accessor interface
+ * \code
+ {%- for prop in interface %}
+ {%- if 'g' in prop.access %}
+ * const {{prop.type}}& get{{prop.name | capFirst}}(const size_t p_idx) const;
+ {%- endif %}
+ {%- if 's' in prop.access %}
+ * void set{{prop.name | capFirst}}(const size_t p_idx, const {{prop.type}}& v);
+ {%- endif %}
+ {%- if 'r' in prop.access %}
+ * {{prop.type}}& get{{prop.name | capFirst}}Ref(const size_t p_idx);
+ {%- endif %}
+ *
+ {%- endfor %}
+ * \endcode
+ * \ingroup mesa_pd_kernel
+ */
+class SingleCast
+{
+public:
+ template <typename Accessor, typename func, typename... Args>
+ auto operator()( size_t idx, Accessor& ac, func& f, Args&&... args );
+};
+
+template <typename Accessor, typename func, typename... Args>
+auto SingleCast::operator()( size_t idx, Accessor& ac, func& f, Args&&... args )
+{
+ static_assert(std::is_base_of<data::IAccessor, Accessor>::value, "please provide a valid accessor");
+
+ using namespace mesa_pd::data;
+ switch (ac.getShape(idx)->getShapeType())
+ {
+ {%- for shape in shapes %}
+ case {{shape}}::SHAPE_TYPE : return f(idx, *static_cast<{{shape}}*>(ac.getShape(idx)), std::forward<Args>(args)...);
+ {%- endfor %}
+ default : WALBERLA_ABORT("Shape type (" << ac.getShape(idx)->getShapeType() << ") could not be determined!");
+ }
+}
+
+} //namespace kernel
+} //namespace mesa_pd
+} //namespace walberla
diff --git a/python/mesa_pd/templates/kernel/SpringDashpot.templ.h b/python/mesa_pd/templates/kernel/SpringDashpot.templ.h
new file mode 100644
index 000000000..1a6f39ca1
--- /dev/null
+++ b/python/mesa_pd/templates/kernel/SpringDashpot.templ.h
@@ -0,0 +1,195 @@
+//======================================================================================================================
+//
+// This file is part of waLBerla. waLBerla is free software: you can
+// redistribute it and/or modify it under the terms of the GNU General Public
+// License as published by the Free Software Foundation, either version 3 of
+// the License, or (at your option) any later version.
+//
+// waLBerla is distributed in the hope that it will be useful, but WITHOUT
+// ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
+// FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License
+// for more details.
+//
+// You should have received a copy of the GNU General Public License along
+// with waLBerla (see COPYING.txt). If not, see <http://www.gnu.org/licenses/>.
+//
+//! \file SpringDashpot.h
+//! \author Sebastian Eibl <sebastian.eibl@fau.de>
+//
+//======================================================================================================================
+
+//======================================================================================================================
+//
+// THIS FILE IS GENERATED - PLEASE CHANGE THE TEMPLATE !!!
+//
+//======================================================================================================================
+
+#pragma once
+
+#include <mesa_pd/common/ParticleFunctions.h>
+#include <mesa_pd/data/DataTypes.h>
+#include <mesa_pd/data/IAccessor.h>
+
+#include <core/math/Constants.h>
+#include <vector>
+
+namespace walberla {
+namespace mesa_pd {
+namespace kernel {
+
+/**
+ * Basic DEM kernel
+ *
+ * This DEM kernel supports spring&dashpot in normal direction as well as friction in tangential direction.
+ *
+ * \code
+ {%- for prop in interface %}
+ {%- if 'g' in prop.access %}
+ * const {{prop.type}}& get{{prop.name | capFirst}}(const size_t p_idx) const;
+ {%- endif %}
+ {%- if 's' in prop.access %}
+ * void set{{prop.name | capFirst}}(const size_t p_idx, const {{prop.type}}& v);
+ {%- endif %}
+ {%- if 'r' in prop.access %}
+ * {{prop.type}}& get{{prop.name | capFirst}}Ref(const size_t p_idx);
+ {%- endif %}
+ *
+ {%- endfor %}
+ * \endcode
+ * \ingroup mesa_pd_kernel
+ */
+class SpringDashpot
+{
+public:
+ SpringDashpot(const uint_t numParticleTypes);
+ SpringDashpot(const SpringDashpot& other) = default;
+ SpringDashpot(SpringDashpot&& other) = default;
+ SpringDashpot& operator=(const SpringDashpot& other) = default;
+ SpringDashpot& operator=(SpringDashpot&& other) = default;
+
+ template <typename Accessor>
+ void operator()(const size_t p_idx1,
+ const size_t p_idx2,
+ Accessor& ac,
+ const Vec3& contactPoint,
+ const Vec3& contactNormal,
+ const real_t& penetrationDepth) const;
+
+ {% for param in parameters %}
+ /// assumes this parameter is symmetric
+ void set{{param | capFirst}}(const size_t type1, const size_t type2, const real_t& val);
+ {%- endfor %}
+
+ {% for param in parameters %}
+ real_t get{{param | capFirst}}(const size_t type1, const size_t type2) const;
+ {%- endfor %}
+
+ inline
+ real_t calcCoefficientOfRestitution(const size_t type1,
+ const size_t type2,
+ const real_t meff)
+ {
+ auto a = real_t(0.5) * getDampingN(type1, type2) / meff;
+ return std::exp(-a * math::M_PI / std::sqrt(getStiffness(type1, type2) / meff - a*a));
+ }
+
+ inline
+ real_t calcCollisionTime(const size_t type1,
+ const size_t type2,
+ const real_t meff)
+ {
+ auto a = real_t(0.5) * getDampingN(type1, type2) / meff;
+ return math::M_PI / std::sqrt( getStiffness(type1, type2)/meff - a*a);
+ }
+
+ inline
+ void setParametersFromCOR(const size_t type1,
+ const size_t type2,
+ const real_t cor,
+ const real_t collisionTime,
+ const real_t meff)
+ {
+ const real_t lnDryResCoeff = std::log(cor);
+ setStiffness(type1, type2, math::M_PI * math::M_PI * meff / ( collisionTime * collisionTime * ( real_t(1) - lnDryResCoeff * lnDryResCoeff / ( math::M_PI * math::M_PI + lnDryResCoeff* lnDryResCoeff )) ));
+ setDampingN( type1, type2, - real_t(2) * std::sqrt( meff * getStiffness(type1, type2) ) * ( lnDryResCoeff / std::sqrt( math::M_PI * math::M_PI + ( lnDryResCoeff * lnDryResCoeff ) ) ));
+ }
+private:
+ uint_t numParticleTypes_;
+ {% for param in parameters %}
+ std::vector<real_t> {{param}}_ {};
+ {%- endfor %}
+};
+
+SpringDashpot::SpringDashpot(const uint_t numParticleTypes)
+{
+ numParticleTypes_ = numParticleTypes;
+ {% for param in parameters %}
+ {{param}}_.resize(numParticleTypes * numParticleTypes, real_t(0));
+ {%- endfor %}
+}
+
+{% for param in parameters %}
+inline void SpringDashpot::set{{param | capFirst}}(const size_t type1, const size_t type2, const real_t& val)
+{
+ WALBERLA_ASSERT_LESS( type1, numParticleTypes_ );
+ WALBERLA_ASSERT_LESS( type2, numParticleTypes_ );
+ {{param}}_[numParticleTypes_*type1 + type2] = val;
+ {{param}}_[numParticleTypes_*type2 + type1] = val;
+}
+{%- endfor %}
+
+{% for param in parameters %}
+inline real_t SpringDashpot::get{{param | capFirst}}(const size_t type1, const size_t type2) const
+{
+ WALBERLA_ASSERT_LESS( type1, numParticleTypes_ );
+ WALBERLA_ASSERT_LESS( type2, numParticleTypes_ );
+ WALBERLA_ASSERT_FLOAT_EQUAL( {{param}}_[numParticleTypes_*type1 + type2],
+ {{param}}_[numParticleTypes_*type2 + type1],
+ "parameter matrix for {{param}} not symmetric!");
+ return {{param}}_[numParticleTypes_*type1 + type2];
+}
+{%- endfor %}
+
+template <typename Accessor>
+inline void SpringDashpot::operator()(const size_t p_idx1,
+ const size_t p_idx2,
+ Accessor& ac,
+ const Vec3& contactPoint,
+ const Vec3& contactNormal,
+ const real_t& penetrationDepth) const
+{
+ static_assert(std::is_base_of<data::IAccessor, Accessor>::value, "please provide a valid accessor");
+
+ if (p_idx1 != p_idx2)
+ {
+ // Global position of contact
+ const Vec3& gpos( contactPoint );
+ // The absolute value of the penetration length
+ real_t delta = -penetrationDepth;
+ if (delta < real_t(0)) return;
+
+ const Vec3 relVel ( -(getVelocityAtWFPoint(p_idx1, ac, gpos) - getVelocityAtWFPoint(p_idx2, ac, gpos)) );
+ const real_t relVelN( math::dot(relVel, contactNormal) );
+ const Vec3 relVelT( relVel - ( relVelN * contactNormal ) );
+
+ // Calculating the normal force based on a linear spring-dashpot force model
+ real_t fNabs = getStiffness(ac.getType(p_idx1), ac.getType(p_idx2)) * delta + getDampingN(ac.getType(p_idx1), ac.getType(p_idx2)) * relVelN;
+ const Vec3& fN = fNabs * contactNormal;
+
+ // Calculating the tangential force based on the model by Haff and Werner
+ const real_t fTabs( std::min( getDampingT(ac.getType(p_idx1), ac.getType(p_idx2)) * relVelT.length(), getFriction(ac.getType(p_idx1), ac.getType(p_idx2)) * fNabs ) );
+ const Vec3 fT ( fTabs * relVelT.getNormalizedOrZero() );
+
+ // Add normal force at contact point
+ addForceAtWFPosAtomic( p_idx1, ac, fN, gpos );
+ addForceAtWFPosAtomic( p_idx2, ac, -fN, gpos );
+
+ // Add tangential force at contact point
+ addForceAtWFPosAtomic( p_idx1, ac, fT, gpos );
+ addForceAtWFPosAtomic( p_idx2, ac, -fT, gpos );
+ }
+}
+
+} //namespace kernel
+} //namespace mesa_pd
+} //namespace walberla
diff --git a/python/mesa_pd/templates/kernel/TemperatureIntegration.templ.h b/python/mesa_pd/templates/kernel/TemperatureIntegration.templ.h
new file mode 100644
index 000000000..92aa9f58d
--- /dev/null
+++ b/python/mesa_pd/templates/kernel/TemperatureIntegration.templ.h
@@ -0,0 +1,127 @@
+//======================================================================================================================
+//
+// This file is part of waLBerla. waLBerla is free software: you can
+// redistribute it and/or modify it under the terms of the GNU General Public
+// License as published by the Free Software Foundation, either version 3 of
+// the License, or (at your option) any later version.
+//
+// waLBerla is distributed in the hope that it will be useful, but WITHOUT
+// ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
+// FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License
+// for more details.
+//
+// You should have received a copy of the GNU General Public License along
+// with waLBerla (see COPYING.txt). If not, see <http://www.gnu.org/licenses/>.
+//
+//! \file TemperatureIntegration.h
+//! \author Sebastian Eibl <sebastian.eibl@fau.de>
+//
+//======================================================================================================================
+
+//======================================================================================================================
+//
+// THIS FILE IS GENERATED - PLEASE CHANGE THE TEMPLATE !!!
+//
+//======================================================================================================================
+
+#pragma once
+
+#include <mesa_pd/data/DataTypes.h>
+#include <mesa_pd/data/IAccessor.h>
+
+namespace walberla {
+namespace mesa_pd {
+namespace kernel {
+
+/**
+ * Kernel which explicitly integrates all particles in time.
+ * This integrator integrates velocity and position.
+ *
+ * This kernel requires the following particle accessor interface
+ * \code
+ {%- for prop in interface %}
+ {%- if 'g' in prop.access %}
+ * const {{prop.type}}& get{{prop.name | capFirst}}(const size_t p_idx) const;
+ {%- endif %}
+ {%- if 's' in prop.access %}
+ * void set{{prop.name | capFirst}}(const size_t p_idx, const {{prop.type}}& v);
+ {%- endif %}
+ {%- if 'r' in prop.access %}
+ * {{prop.type}}& get{{prop.name | capFirst}}Ref(const size_t p_idx);
+ {%- endif %}
+ *
+ {%- endfor %}
+ * \endcode
+ *
+ * \pre All forces acting on the particles have to be set.
+ * \post All forces are reset to 0.
+ * \ingroup mesa_pd_kernel
+ */
+class TemperatureIntegration
+{
+public:
+ TemperatureIntegration(const real_t dt, const uint_t numParticleTypes);
+ TemperatureIntegration(const TemperatureIntegration& other) = default;
+ TemperatureIntegration(TemperatureIntegration&& other) = default;
+ TemperatureIntegration& operator=(const TemperatureIntegration& other) = default;
+ TemperatureIntegration& operator=(TemperatureIntegration&& other) = default;
+
+ template <typename Accessor>
+ void operator()(const size_t i, Accessor& ac) const;
+
+ {% for param in parameters %}
+ /// assumes this parameter is symmetric
+ void set{{param | capFirst}}(const size_t type, const real_t& val);
+ {%- endfor %}
+
+ {% for param in parameters %}
+ real_t get{{param | capFirst}}(const size_t type) const;
+ {%- endfor %}
+private:
+ real_t dt_ = real_t(0.0);
+
+ uint_t numParticleTypes_;
+ {% for param in parameters %}
+ std::vector<real_t> {{param}}_ {};
+ {%- endfor %}
+};
+
+TemperatureIntegration::TemperatureIntegration(const real_t dt, const uint_t numParticleTypes)
+ : dt_(dt)
+{
+ numParticleTypes_ = numParticleTypes;
+ {% for param in parameters %}
+ {{param}}_.resize(numParticleTypes, real_t(0));
+ {%- endfor %}
+}
+
+{% for param in parameters %}
+inline void TemperatureIntegration::set{{param | capFirst}}(const size_t type, const real_t& val)
+{
+ WALBERLA_ASSERT_LESS( type, numParticleTypes_ );
+ {{param}}_[type] = val;
+}
+{%- endfor %}
+
+{% for param in parameters %}
+inline real_t TemperatureIntegration::get{{param | capFirst}}(const size_t type) const
+{
+ WALBERLA_ASSERT_LESS( type, numParticleTypes_ );
+ return {{param}}_[type];
+}
+{%- endfor %}
+
+template <typename Accessor>
+inline void TemperatureIntegration::operator()(const size_t idx,
+ Accessor& ac) const
+{
+ static_assert(std::is_base_of<data::IAccessor, Accessor>::value, "please provide a valid accessor");
+
+ //formula for heat capacity
+ ac.setTemperature(idx, getInvHeatCapacity(ac.getType(idx)) * ac.getHeatFlux(idx) * dt_ + ac.getTemperature(idx));
+ ac.setHeatFlux (idx, real_t(0));
+}
+
+} //namespace kernel
+} //namespace mesa_pd
+} //namespace walberla
diff --git a/python/mesa_pd/templates/kernel/VelocityVerlet.templ.h b/python/mesa_pd/templates/kernel/VelocityVerlet.templ.h
new file mode 100644
index 000000000..a3df53325
--- /dev/null
+++ b/python/mesa_pd/templates/kernel/VelocityVerlet.templ.h
@@ -0,0 +1,114 @@
+//======================================================================================================================
+//
+// This file is part of waLBerla. waLBerla is free software: you can
+// redistribute it and/or modify it under the terms of the GNU General Public
+// License as published by the Free Software Foundation, either version 3 of
+// the License, or (at your option) any later version.
+//
+// waLBerla is distributed in the hope that it will be useful, but WITHOUT
+// ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
+// FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License
+// for more details.
+//
+// You should have received a copy of the GNU General Public License along
+// with waLBerla (see COPYING.txt). If not, see <http://www.gnu.org/licenses/>.
+//
+//! \file VelocityVerlet.h
+//! \author Sebastian Eibl <sebastian.eibl@fau.de>
+//
+//======================================================================================================================
+
+//======================================================================================================================
+//
+// THIS FILE IS GENERATED - PLEASE CHANGE THE TEMPLATE !!!
+//
+//======================================================================================================================
+
+#pragma once
+
+#include <mesa_pd/data/DataTypes.h>
+#include <mesa_pd/data/IAccessor.h>
+
+namespace walberla {
+namespace mesa_pd {
+namespace kernel {
+
+/**
+ * Velocity verlet integration for all particles.
+ *
+ * Velocit verlet integration is a two part kernel. preForceUpdate has to be
+ * called before the force calculation and postFroceUpdate afterwards. The
+ * integration is only complete when both functions are called. The integration
+ * is symplectic.
+ * \attention The force calculation has to be independent of velocity.
+ *
+ * This kernel requires the following particle accessor interface
+ * \code
+ {%- for prop in interface %}
+ {%- if 'g' in prop.access %}
+ * const {{prop.type}}& get{{prop.name | capFirst}}(const size_t p_idx) const;
+ {%- endif %}
+ {%- if 's' in prop.access %}
+ * void set{{prop.name | capFirst}}(const size_t p_idx, const {{prop.type}}& v);
+ {%- endif %}
+ {%- if 'r' in prop.access %}
+ * {{prop.type}}& get{{prop.name | capFirst}}Ref(const size_t p_idx);
+ {%- endif %}
+ *
+ {%- endfor %}
+ * \endcode
+ * \ingroup mesa_pd_kernel
+ */
+class VelocityVerletPreForceUpdate
+{
+public:
+ VelocityVerletPreForceUpdate(const real_t dt) : dt_(dt) {}
+
+ template <typename Accessor>
+ void operator()(const size_t i, Accessor& ac) const;
+
+ real_t dt_;
+};
+
+/// \see VelocityVerletPreForceUpdate
+class VelocityVerletPostForceUpdate
+{
+public:
+ VelocityVerletPostForceUpdate(const real_t dt) : dt_(dt) {}
+
+ template <typename Accessor>
+ void operator()(const size_t i, Accessor& ac) const;
+
+ real_t dt_;
+};
+
+template <typename Accessor>
+inline void VelocityVerletPreForceUpdate::operator()(const size_t p_idx, Accessor& ac) const
+{
+ static_assert(std::is_base_of<data::IAccessor, Accessor>::value, "please provide a valid accessor");
+
+ if (!data::particle_flags::isSet( ac.getFlags(p_idx), data::particle_flags::FIXED))
+ {
+ ac.setPosition(p_idx, ac.getPosition(p_idx) +
+ ac.getLinearVelocity(p_idx) * dt_ +
+ real_t(0.5) * ac.getInvMass(p_idx) * ac.getOldForce(p_idx) * dt_ * dt_);
+ }
+}
+
+template <typename Accessor>
+inline void VelocityVerletPostForceUpdate::operator()(const size_t p_idx, Accessor& ac) const
+{
+ static_assert(std::is_base_of<data::IAccessor, Accessor>::value, "please provide a valid accessor");
+
+ if (!data::particle_flags::isSet( ac.getFlags(p_idx), data::particle_flags::FIXED))
+ {
+ ac.setLinearVelocity(p_idx, ac.getLinearVelocity(p_idx) +
+ real_t(0.5) * ac.getInvMass(p_idx) * (ac.getOldForce(p_idx) + ac.getForce(p_idx)) * dt_);
+ }
+ ac.setOldForce(p_idx, ac.getForce(p_idx));
+ ac.setForce(p_idx, Vec3(real_t(0), real_t(0), real_t(0)));
+}
+
+} //namespace kernel
+} //namespace mesa_pd
+} //namespace walberla
diff --git a/python/mesa_pd/templates/kernel/VelocityVerletWithShape.templ.h b/python/mesa_pd/templates/kernel/VelocityVerletWithShape.templ.h
new file mode 100644
index 000000000..c166e1be5
--- /dev/null
+++ b/python/mesa_pd/templates/kernel/VelocityVerletWithShape.templ.h
@@ -0,0 +1,137 @@
+//======================================================================================================================
+//
+// This file is part of waLBerla. waLBerla is free software: you can
+// redistribute it and/or modify it under the terms of the GNU General Public
+// License as published by the Free Software Foundation, either version 3 of
+// the License, or (at your option) any later version.
+//
+// waLBerla is distributed in the hope that it will be useful, but WITHOUT
+// ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
+// FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License
+// for more details.
+//
+// You should have received a copy of the GNU General Public License along
+// with waLBerla (see COPYING.txt). If not, see <http://www.gnu.org/licenses/>.
+//
+//! \file VelocityVerletWithShape.h
+//! \author Sebastian Eibl <sebastian.eibl@fau.de>
+//
+//======================================================================================================================
+
+//======================================================================================================================
+//
+// THIS FILE IS GENERATED - PLEASE CHANGE THE TEMPLATE !!!
+//
+//======================================================================================================================
+
+#pragma once
+
+#include <mesa_pd/data/DataTypes.h>
+#include <mesa_pd/data/IAccessor.h>
+
+namespace walberla {
+namespace mesa_pd {
+namespace kernel {
+
+/**
+ * Velocity verlet integration for all particles.
+ *
+ * Velocit verlet integration is a two part kernel. preForceUpdate has to be
+ * called before the force calculation and postFroceUpdate afterwards. The
+ * integration is only complete when both functions are called. The integration
+ * is symplectic.
+ * \attention The force calculation has to be independent of velocity.
+ *
+ * This kernel requires the following particle accessor interface
+ * \code
+ {%- for prop in interface %}
+ {%- if 'g' in prop.access %}
+ * const {{prop.type}}& get{{prop.name | capFirst}}(const size_t p_idx) const;
+ {%- endif %}
+ {%- if 's' in prop.access %}
+ * void set{{prop.name | capFirst}}(const size_t p_idx, const {{prop.type}}& v);
+ {%- endif %}
+ {%- if 'r' in prop.access %}
+ * {{prop.type}}& get{{prop.name | capFirst}}Ref(const size_t p_idx);
+ {%- endif %}
+ *
+ {%- endfor %}
+ * \endcode
+ * \ingroup mesa_pd_kernel
+ */
+class VelocityVerletWithShapePreForceUpdate
+{
+public:
+ VelocityVerletWithShapePreForceUpdate(const real_t dt) : dt_(dt) {}
+
+ template <typename Accessor>
+ void operator()(const size_t i, Accessor& ac) const;
+
+ real_t dt_;
+};
+
+/// \see VelocityVerletPreForceUpdate
+class VelocityVerletWithShapePostForceUpdate
+{
+public:
+ VelocityVerletWithShapePostForceUpdate(const real_t dt) : dt_(dt) {}
+
+ template <typename Accessor>
+ void operator()(const size_t i, Accessor& ac) const;
+
+ real_t dt_;
+};
+
+template <typename Accessor>
+inline void VelocityVerletWithShapePreForceUpdate::operator()(const size_t p_idx, Accessor& ac) const
+{
+ static_assert(std::is_base_of<data::IAccessor, Accessor>::value, "please provide a valid accessor");
+
+ if (!data::particle_flags::isSet( ac.getFlags(p_idx), data::particle_flags::FIXED))
+ {
+ ac.setPosition(p_idx, ac.getPosition(p_idx) +
+ ac.getLinearVelocity(p_idx) * dt_ +
+ real_t(0.5) * ac.getInvMass(p_idx) * ac.getOldForce(p_idx) * dt_ * dt_);
+
+ const Vec3 wdot = math::transformMatrixRART(ac.getRotation(p_idx).getMatrix(),
+ ac.getInvInertiaBF(p_idx)) * ac.getOldTorque(p_idx);
+
+ // Calculating the rotation angle
+ const Vec3 phi( ac.getAngularVelocity(p_idx) * dt_ + real_t(0.5) * wdot * dt_ * dt_);
+
+ // Calculating the new orientation
+ auto rotation = ac.getRotation(p_idx);
+ rotation.rotate( phi );
+ ac.setRotation(p_idx, rotation);
+ }
+}
+
+template <typename Accessor>
+inline void VelocityVerletWithShapePostForceUpdate::operator()(const size_t p_idx, Accessor& ac) const
+{
+ static_assert(std::is_base_of<data::IAccessor, Accessor>::value, "please provide a valid accessor");
+
+ if (!data::particle_flags::isSet( ac.getFlags(p_idx), data::particle_flags::FIXED))
+ {
+ ac.setLinearVelocity(p_idx, ac.getLinearVelocity(p_idx) +
+ real_t(0.5) * ac.getInvMass(p_idx) * (ac.getOldForce(p_idx) + ac.getForce(p_idx)) * dt_);
+
+
+ const auto torque = ac.getOldTorque(p_idx) + ac.getTorque(p_idx);
+ const Vec3 wdot = math::transformMatrixRART(ac.getRotation(p_idx).getMatrix(),
+ ac.getInvInertiaBF(p_idx)) * torque;
+
+ ac.setAngularVelocity(p_idx, ac.getAngularVelocity(p_idx) +
+ real_t(0.5) * wdot * dt_ );
+ }
+
+ ac.setOldForce(p_idx, ac.getForce(p_idx));
+ ac.setForce(p_idx, Vec3(real_t(0), real_t(0), real_t(0)));
+
+ ac.setOldTorque(p_idx, ac.getTorque(p_idx));
+ ac.setTorque(p_idx, Vec3(real_t(0), real_t(0), real_t(0)));
+}
+
+} //namespace kernel
+} //namespace mesa_pd
+} //namespace walberla
diff --git a/python/mesa_pd/templates/mpi/BroadcastProperty.templ.h b/python/mesa_pd/templates/mpi/BroadcastProperty.templ.h
new file mode 100644
index 000000000..2279df7d1
--- /dev/null
+++ b/python/mesa_pd/templates/mpi/BroadcastProperty.templ.h
@@ -0,0 +1,135 @@
+//======================================================================================================================
+//
+// This file is part of waLBerla. waLBerla is free software: you can
+// redistribute it and/or modify it under the terms of the GNU General Public
+// License as published by the Free Software Foundation, either version 3 of
+// the License, or (at your option) any later version.
+//
+// waLBerla is distributed in the hope that it will be useful, but WITHOUT
+// ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
+// FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License
+// for more details.
+//
+// You should have received a copy of the GNU General Public License along
+// with waLBerla (see COPYING.txt). If not, see <http://www.gnu.org/licenses/>.
+//
+//! \file BroadcastProperty.h
+//! \author Sebastian Eibl <sebastian.eibl@fau.de>
+//
+//======================================================================================================================
+
+//======================================================================================================================
+//
+// THIS FILE IS GENERATED - PLEASE CHANGE THE TEMPLATE !!!
+//
+//======================================================================================================================
+
+#pragma once
+
+#include <mesa_pd/data/DataTypes.h>
+#include <mesa_pd/data/Flags.h>
+#include <mesa_pd/data/ParticleStorage.h>
+
+#include <core/mpi/BufferSystem.h>
+#include <core/logging/Logging.h>
+
+#include <type_traits>
+
+namespace walberla {
+namespace mesa_pd {
+namespace mpi {
+
+/**
+ * Broadcast a property from the master particle to all corresponding ghost particles.
+ *
+ * \par Usage:
+ * The property which will be broadcasted can be selected by the Notification template
+ * (see ForceTorqueNotification).
+ * void update(data::Particle&& p, const Notification::Parameters& objparam)
+ * will be called to update the ghost particles with the information transmitted.
+ *
+ * \post
+ * - all ghost particles got updated
+ *
+ * \ingroup mesa_pd_mpi
+ */
+class BroadcastProperty
+{
+public:
+ template <typename Notification>
+ void operator()(data::ParticleStorage& ps) const;
+
+ int64_t getBytesSent() const { return bs.getBytesSent(); }
+ int64_t getBytesReceived() const { return bs.getBytesReceived(); }
+
+ int64_t getNumberOfSends() const { return bs.getNumberOfSends(); }
+ int64_t getNumberOfReceives() const { return bs.getNumberOfReceives(); }
+private:
+ mutable walberla::mpi::BufferSystem bs = walberla::mpi::BufferSystem(walberla::mpi::MPIManager::instance()->comm() );
+
+ int numProcesses_ = walberla::mpi::MPIManager::instance()->numProcesses();
+};
+
+template <typename Notification>
+void BroadcastProperty::operator()(data::ParticleStorage& ps) const
+{
+ if (numProcesses_ == 1) return;
+
+ std::set<int> recvRanks; // potential message senders
+
+ WALBERLA_LOG_DETAIL( "Assembling of property reduction message starts...");
+
+ for( auto p : ps )
+ {
+ if (data::particle_flags::isSet( p.getFlags(), data::particle_flags::GHOST))
+ {
+ // Will receive message from the particles owner
+ recvRanks.insert(p.getOwner());
+ } else
+ {
+ //local particles should send the property to all ghost particles
+ for (auto& ghostRank : p.getGhostOwners())
+ {
+ auto& sb = bs.sendBuffer(ghostRank);
+ if (sb.isEmpty())
+ {
+ // fill empty buffers with a dummy byte to force transmission
+ sb << walberla::uint8_c(0);
+ }
+ sb << Notification( p );
+ }
+ }
+ }
+
+ WALBERLA_LOG_DETAIL( "Assembling of property broadcasting message ended." );
+
+ bs.setReceiverInfo(recvRanks, true);
+ bs.sendAll();
+
+ // Receiving the updates for the remote rigid bodies from the connected processes
+ WALBERLA_LOG_DETAIL( "Parsing of property broadcasting message starts..." );
+ for( auto it = bs.begin(); it != bs.end(); ++it )
+ {
+ walberla::uint8_t tmp;
+ it.buffer() >> tmp;
+ while( !it.buffer().isEmpty() )
+ {
+ typename Notification::Parameters objparam;
+ it.buffer() >> objparam;
+
+ WALBERLA_LOG_DETAIL( "Received reduction notification from neighboring process with rank " << it.rank() );
+
+ auto pIt = ps.find( objparam.uid_ );
+ WALBERLA_CHECK_UNEQUAL( pIt, ps.end() );
+
+ update(*pIt, objparam);
+
+ WALBERLA_LOG_DETAIL( "Processed broadcasting notification for particle " << objparam.uid_ << "." );
+ }
+ }
+ WALBERLA_LOG_DETAIL( "Parsing of property broadcasting message ended." );
+}
+
+} // namespace mpi
+} // namespace mesa_pd
+} // namespace walberla
diff --git a/python/mesa_pd/templates/mpi/ClearNextNeighborSync.templ.h b/python/mesa_pd/templates/mpi/ClearNextNeighborSync.templ.h
new file mode 100644
index 000000000..df3505f47
--- /dev/null
+++ b/python/mesa_pd/templates/mpi/ClearNextNeighborSync.templ.h
@@ -0,0 +1,87 @@
+//======================================================================================================================
+//
+// This file is part of waLBerla. waLBerla is free software: you can
+// redistribute it and/or modify it under the terms of the GNU General Public
+// License as published by the Free Software Foundation, either version 3 of
+// the License, or (at your option) any later version.
+//
+// waLBerla is distributed in the hope that it will be useful, but WITHOUT
+// ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
+// FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License
+// for more details.
+//
+// You should have received a copy of the GNU General Public License along
+// with waLBerla (see COPYING.txt). If not, see <http://www.gnu.org/licenses/>.
+//
+//! \file ClearNextNeighborSync.h
+//! \author Sebastian Eibl <sebastian.eibl@fau.de>
+//
+//======================================================================================================================
+
+//======================================================================================================================
+//
+// THIS FILE IS GENERATED - PLEASE CHANGE THE TEMPLATE !!!
+//
+//======================================================================================================================
+
+#pragma once
+
+#include <mesa_pd/data/Flags.h>
+
+namespace walberla {
+namespace mesa_pd {
+namespace mpi {
+
+/**
+ * Clear all ghost particles and reset ghost owner information
+ *
+ * This kernel requires the following particle accessor interface
+ * \code
+ {%- for prop in interface %}
+ {%- if 'g' in prop.access %}
+ * const {{prop.type}}& get{{prop.name | capFirst}}(const size_t p_idx) const;
+ {%- endif %}
+ {%- if 's' in prop.access %}
+ * void set{{prop.name | capFirst}}(const size_t p_idx, const {{prop.type}}& v);
+ {%- endif %}
+ {%- if 'r' in prop.access %}
+ * {{prop.type}}& get{{prop.name | capFirst}}Ref(const size_t p_idx);
+ {%- endif %}
+ *
+ {%- endfor %}
+ * \endcode
+ *
+ * \post All ghost particles are deleted.
+ * \post All ghost owners are reset.
+ *
+ * \ingroup mesa_pd_mpi
+ */
+class ClearNextNeighborSync
+{
+public:
+ template <typename Accessor>
+ void operator()(Accessor& ac) const;
+};
+
+template <typename Accessor>
+void ClearNextNeighborSync::operator()(Accessor& ac) const
+{
+ for (size_t idx = 0; idx < ac.size(); )
+ {
+ if (data::particle_flags::isSet( ac.getFlags(idx), data::particle_flags::GHOST))
+ {
+ //ghost particle
+ idx = ac.erase(idx);
+ continue;
+ } else
+ {
+ //local particle
+ ac.getGhostOwnersRef(idx).clear();
+ }
+ ++idx;
+ }
+}
+
+} // namespace mpi
+} // namespace mesa_pd
+} // namespace walberla
diff --git a/python/mesa_pd/templates/mpi/ReduceContactHistory.templ.h b/python/mesa_pd/templates/mpi/ReduceContactHistory.templ.h
new file mode 100644
index 000000000..1798e721f
--- /dev/null
+++ b/python/mesa_pd/templates/mpi/ReduceContactHistory.templ.h
@@ -0,0 +1,113 @@
+//======================================================================================================================
+//
+// This file is part of waLBerla. waLBerla is free software: you can
+// redistribute it and/or modify it under the terms of the GNU General Public
+// License as published by the Free Software Foundation, either version 3 of
+// the License, or (at your option) any later version.
+//
+// waLBerla is distributed in the hope that it will be useful, but WITHOUT
+// ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
+// FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License
+// for more details.
+//
+// You should have received a copy of the GNU General Public License along
+// with waLBerla (see COPYING.txt). If not, see <http://www.gnu.org/licenses/>.
+//
+//! \file ReduceContactHistory.h
+//! \author Sebastian Eibl <sebastian.eibl@fau.de>
+//
+//======================================================================================================================
+
+//======================================================================================================================
+//
+// THIS FILE IS GENERATED - PLEASE CHANGE THE TEMPLATE !!!
+//
+//======================================================================================================================
+
+#pragma once
+
+#include <mesa_pd/data/ContactHistory.h>
+#include <mesa_pd/data/ParticleStorage.h>
+
+#include <mesa_pd/kernel/ParticleSelector.h>
+
+#include <mesa_pd/mpi/notifications/ContactHistoryNotification.h>
+#include <mesa_pd/mpi/ReduceProperty.h>
+
+#include <core/logging/Logging.h>
+
+namespace walberla {
+namespace mesa_pd {
+namespace mpi {
+
+/**
+ * Reduces all contact history from ghost particles to the master particle.
+ *
+ * \attention
+ * This kernel *only* reduces the contact history. You have to manually
+ * broadcast it to ghost particles if needed. This can be done by either
+ * using BroadcastProperty or SyncNextNeighbors.
+ *
+ * \par Usage:
+ * The contact history aggregated by a call to this kernel is available in
+ * oldContactHistory. Use this data to write the current contact history
+ * to newContactHistory. The next call to this kernel will delete all
+ * contact data which is not stored in newContactHistory!
+ *
+ * \pre
+ * - up to date contact information has to be stored in newContactHistory
+ * - only contact information of local contacts should be stored
+ * - data in oldContactHistory will be overwritten
+ *
+ * \post
+ * - oldContactHistory for the master particle contains the reduced data
+ * - oldContactHistory for ghost particles is empty
+ * - newContactHistory is empty for master as well as ghost particles
+ *
+ * \internal
+ * Two contact histories are needed to decided which contacts are still persistent and
+ * which have been separated. OldContactHistory stores all contact information from the last
+ * time step. This can be used to populate newContactHistory. Processes should only populate
+ * newContactHistory if they have a persisting contact! During the reduce operation newContactHistory
+ * will be reduced effectively eliminating all contacts that have separated. Subsequently it
+ * is swapped with oldContactHistory to create the initial state. This is oldContactHistory
+ * has all information, newContactHistory is empty.
+ *
+ * \ingroup mesa_pd_mpi
+ */
+class ReduceContactHistory
+{
+public:
+ void operator()(data::ParticleStorage& ps) const;
+private:
+ ReduceProperty RP_;
+
+ int numProcesses_ = walberla::mpi::MPIManager::instance()->numProcesses();
+};
+
+void ReduceContactHistory::operator()(data::ParticleStorage& ps) const
+{
+ //no need to reduce if run with only one process
+ if (numProcesses_ != 1)
+ {
+ RP_.operator()<ContactHistoryNotification>(ps);
+ }
+
+ const auto size = ps.size();
+ for (size_t idx = 0; idx < size; ++idx)
+ {
+ if (!data::particle_flags::isSet( ps.getFlags(idx), data::particle_flags::GHOST) )
+ {
+ std::swap(ps.getOldContactHistoryRef(idx), ps.getNewContactHistoryRef(idx));
+ ps.getNewContactHistoryRef(idx).clear();
+ } else
+ {
+ ps.getOldContactHistoryRef(idx).clear();
+ ps.getNewContactHistoryRef(idx).clear();
+ }
+ }
+}
+
+} // namespace mpi
+} // namespace mesa_pd
+} // namespace walberla
diff --git a/python/mesa_pd/templates/mpi/ReduceProperty.templ.h b/python/mesa_pd/templates/mpi/ReduceProperty.templ.h
new file mode 100644
index 000000000..99eab36d7
--- /dev/null
+++ b/python/mesa_pd/templates/mpi/ReduceProperty.templ.h
@@ -0,0 +1,144 @@
+//======================================================================================================================
+//
+// This file is part of waLBerla. waLBerla is free software: you can
+// redistribute it and/or modify it under the terms of the GNU General Public
+// License as published by the Free Software Foundation, either version 3 of
+// the License, or (at your option) any later version.
+//
+// waLBerla is distributed in the hope that it will be useful, but WITHOUT
+// ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
+// FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License
+// for more details.
+//
+// You should have received a copy of the GNU General Public License along
+// with waLBerla (see COPYING.txt). If not, see <http://www.gnu.org/licenses/>.
+//
+//! \file SyncProperty.h
+//! \author Sebastian Eibl <sebastian.eibl@fau.de>
+//
+//======================================================================================================================
+
+//======================================================================================================================
+//
+// THIS FILE IS GENERATED - PLEASE CHANGE THE TEMPLATE !!!
+//
+//======================================================================================================================
+
+#pragma once
+
+#include <mesa_pd/data/DataTypes.h>
+#include <mesa_pd/data/Flags.h>
+#include <mesa_pd/data/ParticleStorage.h>
+
+#include <core/mpi/BufferSystem.h>
+#include <core/logging/Logging.h>
+
+#include <type_traits>
+
+namespace walberla {
+namespace mesa_pd {
+namespace mpi {
+
+/**
+ * Reduce a property from all ghost particles to the corresponding master particle.
+ *
+ * \attention
+ * This kernel does not broadcast the reduced property to all ghost particles. Use
+ * BroadcastProperty or SyncNextNeighbors for that.
+ *
+ * \par Usage:
+ * The property which will be reduced can be selected by the Notification template
+ * (see ForceTorqueNotification).
+ * void reduce(data::Particle&& p, const Notification::Parameters& objparam)
+ * will be called to reduce the all incoming properties.
+ *
+ * \pre
+ * - the property is up to date on all ghost particles
+ *
+ * \post
+ * - the property at all ghost particles stays unchanged
+ * - the property at the master particle is the reduced one
+ *
+ * \ingroup mesa_pd_mpi
+ */
+class ReduceProperty
+{
+public:
+ template <typename Notification>
+ void operator()(data::ParticleStorage& ps) const;
+
+ int64_t getBytesSent() const { return bs.getBytesSent(); }
+ int64_t getBytesReceived() const { return bs.getBytesReceived(); }
+
+ int64_t getNumberOfSends() const { return bs.getNumberOfSends(); }
+ int64_t getNumberOfReceives() const { return bs.getNumberOfReceives(); }
+private:
+ mutable walberla::mpi::BufferSystem bs = walberla::mpi::BufferSystem(walberla::mpi::MPIManager::instance()->comm() );
+
+ int numProcesses_ = walberla::mpi::MPIManager::instance()->numProcesses();
+};
+
+template <typename Notification>
+void ReduceProperty::operator()(data::ParticleStorage& ps) const
+{
+ if (numProcesses_ == 1) return;
+
+ std::set<int> recvRanks; // potential message senders
+
+ WALBERLA_LOG_DETAIL( "Assembling of property reduction message starts...");
+
+ for( auto p : ps )
+ {
+ if (data::particle_flags::isSet( p.getFlags(), data::particle_flags::GHOST))
+ {
+ //ghost particles should send their property
+ auto& sb = bs.sendBuffer(p.getOwner());
+ if (sb.isEmpty())
+ {
+ // fill empty buffers with a dummy byte to force transmission
+ sb << walberla::uint8_c(0);
+ }
+
+ sb << Notification( p );
+ } else
+ {
+ //local particles should receive the property and sum it up
+ for (auto& ghostRank : p.getGhostOwners())
+ {
+ recvRanks.insert(ghostRank);
+ }
+ }
+ }
+
+ WALBERLA_LOG_DETAIL( "Assembling of property reduction message ended." );
+
+ bs.setReceiverInfo(recvRanks, true);
+ bs.sendAll();
+
+ // Receiving the updates for the remote rigid bodies from the connected processes
+ WALBERLA_LOG_DETAIL( "Parsing of property reduction message starts..." );
+ for( auto it = bs.begin(); it != bs.end(); ++it )
+ {
+ walberla::uint8_t tmp;
+ it.buffer() >> tmp;
+ while( !it.buffer().isEmpty() )
+ {
+ typename Notification::Parameters objparam;
+ it.buffer() >> objparam;
+
+ WALBERLA_LOG_DETAIL( "Received reduction notification from neighboring process with rank " << it.rank() );
+
+ auto pIt = ps.find( objparam.uid_ );
+ WALBERLA_CHECK_UNEQUAL( pIt, ps.end() );
+
+ reduce(*pIt, objparam);
+
+ WALBERLA_LOG_DETAIL( "Processed reduction notification for particle " << objparam.uid_ << "." );
+ }
+ }
+ WALBERLA_LOG_DETAIL( "Parsing of property reduction message ended." );
+}
+
+} // namespace mpi
+} // namespace mesa_pd
+} // namespace walberla
diff --git a/python/mesa_pd/templates/mpi/SyncNextNeighbors.templ.cpp b/python/mesa_pd/templates/mpi/SyncNextNeighbors.templ.cpp
new file mode 100644
index 000000000..4765e4f13
--- /dev/null
+++ b/python/mesa_pd/templates/mpi/SyncNextNeighbors.templ.cpp
@@ -0,0 +1,267 @@
+//======================================================================================================================
+//
+// This file is part of waLBerla. waLBerla is free software: you can
+// redistribute it and/or modify it under the terms of the GNU General Public
+// License as published by the Free Software Foundation, either version 3 of
+// the License, or (at your option) any later version.
+//
+// waLBerla is distributed in the hope that it will be useful, but WITHOUT
+// ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
+// FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License
+// for more details.
+//
+// You should have received a copy of the GNU General Public License along
+// with waLBerla (see COPYING.txt). If not, see <http://www.gnu.org/licenses/>.
+//
+//! \file SyncNextNeighbors.cpp
+//! \author Sebastian Eibl <sebastian.eibl@fau.de>
+//
+//======================================================================================================================
+
+//======================================================================================================================
+//
+// THIS FILE IS GENERATED - PLEASE CHANGE THE TEMPLATE !!!
+//
+//======================================================================================================================
+
+#include "SyncNextNeighbors.h"
+
+namespace walberla {
+namespace mesa_pd {
+namespace mpi {
+
+void SyncNextNeighbors::operator()(data::ParticleStorage& ps,
+ const domain::IDomain& domain,
+ const real_t dx) const
+{
+ if (numProcesses_ == 1) return;
+
+ neighborRanks_ = domain.getNeighborProcesses();
+ for( uint_t nbProcessRank : neighborRanks_ )
+ {
+ if (bs.sendBuffer(nbProcessRank).isEmpty())
+ {
+ // fill empty buffers with a dummy byte to force transmission
+ bs.sendBuffer(nbProcessRank) << walberla::uint8_c(0);
+ }
+ }
+ generateSynchronizationMessages(ps, domain, dx);
+
+ // size of buffer is unknown and changes with each send
+ bs.setReceiverInfoFromSendBufferState(false, true);
+ bs.sendAll();
+
+ // Receiving the updates for the remote rigid bodies from the connected processes
+ WALBERLA_LOG_DETAIL( "Parsing of particle synchronization response starts..." );
+ ParseMessage parseMessage;
+ for( auto it = bs.begin(); it != bs.end(); ++it )
+ {
+ walberla::uint8_t tmp;
+ it.buffer() >> tmp;
+ while( !it.buffer().isEmpty() )
+ {
+ parseMessage(it.rank(), it.buffer(), ps, domain);
+ }
+ }
+ WALBERLA_LOG_DETAIL( "Parsing of particle synchronization response ended." );
+}
+
+/**
+ * Removes a particle from the local storage and informs ghost particle holders.
+ *
+ * This function removes the particle from the particle storage and generates deletion notifications.
+ */
+inline
+data::ParticleStorage::iterator removeAndNotify( walberla::mpi::BufferSystem& bs,
+ data::ParticleStorage& ps,
+ data::ParticleStorage::iterator& pIt )
+{
+ WALBERLA_ASSERT( !data::particle_flags::isSet( pIt->getFlags(), data::particle_flags::GHOST),
+ "Trying to remove ghost particle from the particle storage." );
+
+ WALBERLA_ASSERT( !data::particle_flags::isSet( pIt->getFlags(), data::particle_flags::GLOBAL),
+ "Trying to remove a global particle from the particle storage." );
+
+ if( !pIt->getGhostOwners().empty() )
+ {
+ // Notify registered processes (intersecting or interacting) of particle removal since they possess a shadow copy.
+ for( auto ghostRank : pIt->getGhostOwnersRef() )
+ {
+ WALBERLA_LOG_DETAIL( "__Notify registered process " << ghostRank << " of deletion of particle " << pIt->getUid() );
+ auto& sb = bs.sendBuffer(ghostRank);
+ if (sb.isEmpty()) sb << walberla::uint8_c(0);
+ packNotification(sb, ParticleRemovalNotification( *pIt ));
+ }
+ }
+
+ pIt->getGhostOwnersRef().clear();
+ return ps.erase( pIt );
+}
+
+void SyncNextNeighbors::generateSynchronizationMessages(data::ParticleStorage& ps,
+ const domain::IDomain& domain,
+ const real_t dx) const
+{
+ const uint_t ownRank = uint_c(rank_);
+
+ WALBERLA_LOG_DETAIL( "Assembling of particle synchronization message starts..." );
+
+ // position update
+ for( auto pIt = ps.begin(); pIt != ps.end(); )
+ {
+ //skip all ghost particles
+ if (data::particle_flags::isSet( pIt->getFlags(), data::particle_flags::GHOST))
+ {
+ ++pIt;
+ continue;
+ }
+
+ //skip all particles that do not communicate (create ghost particles) on other processes
+ if (data::particle_flags::isSet( pIt->getFlags(), data::particle_flags::NON_COMMUNICATING))
+ {
+ ++pIt;
+ continue;
+ }
+
+ if (domain.isContainedInLocalSubdomain(pIt->getPosition(), pIt->getInteractionRadius()))
+ {
+ //no sync needed
+ //just delete ghost particles if there are any
+
+ for (const auto& ghostOwner : pIt->getGhostOwners() )
+ {
+ auto& buffer( bs.sendBuffer(ghostOwner) );
+
+ WALBERLA_LOG_DETAIL( "Sending removal notification for particle " << pIt->getUid() << " to process " << ghostOwner );
+
+ packNotification(buffer, ParticleRemovalNotification( *pIt ));
+ }
+
+ pIt->getGhostOwnersRef().clear();
+
+ ++pIt;
+ continue;
+ }
+
+ //correct position to make sure particle is always inside the domain!
+ //everything is decided by the master particle therefore ghost particles are not touched
+ if (!data::particle_flags::isSet( pIt->getFlags(), data::particle_flags::FIXED) &&
+ !data::particle_flags::isSet( pIt->getFlags(), data::particle_flags::GHOST))
+ {
+ domain.periodicallyMapToDomain( pIt->getPositionRef() );
+ }
+
+ // Note: At this point we know that the particle was locally owned before the position update.
+ WALBERLA_CHECK_EQUAL(pIt->getOwner(), ownRank);
+
+ WALBERLA_LOG_DETAIL( "Processing local particle " << pIt->getUid() );
+
+ // Update nearest neighbor processes.
+ for( uint_t nbProcessRank : neighborRanks_ )
+ {
+ if( domain.intersectsWithProcessSubdomain( nbProcessRank, pIt->getPosition(), pIt->getInteractionRadius() + dx ) )
+ {
+ auto ghostOwnerIt = std::find( pIt->getGhostOwners().begin(), pIt->getGhostOwners().end(), nbProcessRank );
+ if( ghostOwnerIt != pIt->getGhostOwners().end() )
+ {
+ // already a ghost there -> update
+ auto& buffer( bs.sendBuffer(nbProcessRank) );
+ WALBERLA_LOG_DETAIL( "Sending update notification for particle " << pIt->getUid() << " to process " << (nbProcessRank) );
+ packNotification(buffer, ParticleUpdateNotification( *pIt ));
+ } else
+ {
+ // no ghost there -> create ghost
+ auto& buffer( bs.sendBuffer(nbProcessRank) );
+ WALBERLA_LOG_DETAIL( "Sending shadow copy notification for particle " << pIt->getUid() << " to process " << (nbProcessRank) );
+ packNotification(buffer, ParticleCopyNotification( *pIt ));
+ pIt->getGhostOwnersRef().emplace_back( int_c(nbProcessRank) );
+ }
+ }
+ else
+ {
+ //no overlap with neighboring process -> delete if ghost is there
+ auto ghostOwnerIt = std::find( pIt->getGhostOwners().begin(), pIt->getGhostOwners().end(), nbProcessRank );
+ if( ghostOwnerIt != pIt->getGhostOwners().end() )
+ {
+ // In case the rigid particle no longer intersects the remote process nor interacts with it but is registered,
+ // send removal notification.
+ auto& buffer( bs.sendBuffer(nbProcessRank) );
+
+ WALBERLA_LOG_DETAIL( "Sending removal notification for particle " << pIt->getUid() << " to process " << nbProcessRank );
+
+ packNotification(buffer, ParticleRemovalNotification( *pIt ));
+
+ pIt->getGhostOwnersRef().erase(ghostOwnerIt);
+ }
+ }
+ }
+
+ //particle has left subdomain?
+ const auto ownerRank = domain.findContainingProcessRank( pIt->getPosition() );
+ if( ownerRank != int_c(ownRank) )
+ {
+ WALBERLA_LOG_DETAIL( "Local particle " << pIt->getUid() << " is no longer on process " << ownRank << " but on process " << ownerRank );
+
+ if( ownerRank < 0 ) {
+ // No owner found: Outflow condition.
+ WALBERLA_LOG_DETAIL( "Sending deletion notifications for particle " << pIt->getUid() << " due to outflow." );
+
+ // Registered processes receive removal notification in the remove() routine.
+ pIt = removeAndNotify( bs, ps, pIt );
+
+ continue;
+ }
+
+ WALBERLA_LOG_DETAIL( "Sending migration notification for particle " << pIt->getUid() << " to process " << ownerRank << "." );
+ //WALBERLA_LOG_DETAIL( "Process registration list before migration: " << pIt->getGhostOwners() );
+
+ // Set new owner and transform to ghost particle
+ pIt->setOwner(ownerRank);
+ data::particle_flags::set( pIt->getFlagsRef(), data::particle_flags::GHOST );
+
+ // currently position is mapped to periodically to global domain,
+ // this might not be the correct position for a ghost particle
+ domain.correctParticlePosition( pIt->getPositionRef() );
+
+ // Correct registration list (exclude new owner and us - the old owner) and
+ // notify registered processes (except for new owner) of (remote) migration since they possess a ghost particle.
+ auto ownerIt = std::find( pIt->getGhostOwners().begin(), pIt->getGhostOwners().end(), ownerRank );
+ WALBERLA_CHECK_UNEQUAL(ownerIt, pIt->getGhostOwners().end(), "New owner has to be former ghost owner!" );
+
+ pIt->getGhostOwnersRef().erase( ownerIt );
+
+ for( auto ghostRank : pIt->getGhostOwners() )
+ {
+ auto& buffer( bs.sendBuffer(ghostRank) );
+
+ WALBERLA_LOG_DETAIL( "Sending remote migration notification for particle " << pIt->getUid() <<
+ " to process " << ghostRank );
+
+ packNotification(buffer, ParticleRemoteMigrationNotification( *pIt, ownerRank ));
+ }
+
+ pIt->getGhostOwnersRef().emplace_back( int_c(ownRank) );
+
+ // Send migration notification to new owner
+ auto& buffer( bs.sendBuffer(ownerRank) );
+ packNotification(buffer, ParticleMigrationNotification( *pIt ));
+
+ pIt->getGhostOwnersRef().clear();
+
+ continue;
+
+ } else
+ {
+ // particle still is locally owned after position update.
+ WALBERLA_LOG_DETAIL( "Owner of particle " << pIt->getUid() << " is still process " << pIt->getOwner() );
+ }
+
+ ++pIt;
+ }
+
+ WALBERLA_LOG_DETAIL( "Assembling of particle synchronization message ended." );
+}
+
+} // namespace mpi
+} // namespace mesa_pd
+} // namespace walberla
diff --git a/python/mesa_pd/templates/mpi/SyncNextNeighbors.templ.h b/python/mesa_pd/templates/mpi/SyncNextNeighbors.templ.h
new file mode 100644
index 000000000..73cf82002
--- /dev/null
+++ b/python/mesa_pd/templates/mpi/SyncNextNeighbors.templ.h
@@ -0,0 +1,79 @@
+//======================================================================================================================
+//
+// This file is part of waLBerla. waLBerla is free software: you can
+// redistribute it and/or modify it under the terms of the GNU General Public
+// License as published by the Free Software Foundation, either version 3 of
+// the License, or (at your option) any later version.
+//
+// waLBerla is distributed in the hope that it will be useful, but WITHOUT
+// ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
+// FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License
+// for more details.
+//
+// You should have received a copy of the GNU General Public License along
+// with waLBerla (see COPYING.txt). If not, see <http://www.gnu.org/licenses/>.
+//
+//! \file SyncNextNeighbors.h
+//! \author Sebastian Eibl <sebastian.eibl@fau.de>
+//
+//======================================================================================================================
+
+//======================================================================================================================
+//
+// THIS FILE IS GENERATED - PLEASE CHANGE THE TEMPLATE !!!
+//
+//======================================================================================================================
+
+#pragma once
+
+#include <mesa_pd/data/DataTypes.h>
+#include <mesa_pd/data/Flags.h>
+#include <mesa_pd/data/ParticleStorage.h>
+#include <mesa_pd/domain/IDomain.h>
+#include <mesa_pd/mpi/notifications/PackNotification.h>
+#include <mesa_pd/mpi/notifications/ParseMessage.h>
+#include <mesa_pd/mpi/notifications/ParticleCopyNotification.h>
+#include <mesa_pd/mpi/notifications/ParticleMigrationNotification.h>
+#include <mesa_pd/mpi/notifications/ParticleRemoteMigrationNotification.h>
+#include <mesa_pd/mpi/notifications/ParticleRemovalNotification.h>
+#include <mesa_pd/mpi/notifications/ParticleUpdateNotification.h>
+
+#include <core/mpi/BufferSystem.h>
+#include <core/logging/Logging.h>
+
+namespace walberla {
+namespace mesa_pd {
+namespace mpi {
+
+/**
+ * Kernel which updates all ghost particles.
+ *
+ * \ingroup mesa_pd_mpi
+ */
+class SyncNextNeighbors
+{
+public:
+ void operator()(data::ParticleStorage& ps,
+ const domain::IDomain& domain,
+ const real_t dx = real_t(0)) const;
+
+ int64_t getBytesSent() const { return bs.getBytesSent(); }
+ int64_t getBytesReceived() const { return bs.getBytesReceived(); }
+
+ int64_t getNumberOfSends() const { return bs.getNumberOfSends(); }
+ int64_t getNumberOfReceives() const { return bs.getNumberOfReceives(); }
+private:
+ void generateSynchronizationMessages(data::ParticleStorage& ps,
+ const domain::IDomain& domain,
+ const real_t dx) const;
+ mutable std::vector<uint_t> neighborRanks_; ///cache for neighbor ranks -> will be updated in operator()
+
+ mutable walberla::mpi::BufferSystem bs = walberla::mpi::BufferSystem( walberla::mpi::MPIManager::instance()->comm() );
+
+ int numProcesses_ = walberla::mpi::MPIManager::instance()->numProcesses();
+ int rank_ = walberla::mpi::MPIManager::instance()->rank();
+};
+
+} // namespace mpi
+} // namespace mesa_pd
+} // namespace walberla
diff --git a/python/mesa_pd/templates/mpi/notifications/ContactHistoryNotification.templ.h b/python/mesa_pd/templates/mpi/notifications/ContactHistoryNotification.templ.h
new file mode 100644
index 000000000..15ab081fd
--- /dev/null
+++ b/python/mesa_pd/templates/mpi/notifications/ContactHistoryNotification.templ.h
@@ -0,0 +1,101 @@
+//======================================================================================================================
+//
+// This file is part of waLBerla. waLBerla is free software: you can
+// redistribute it and/or modify it under the terms of the GNU General Public
+// License as published by the Free Software Foundation, either version 3 of
+// the License, or (at your option) any later version.
+//
+// waLBerla is distributed in the hope that it will be useful, but WITHOUT
+// ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
+// FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License
+// for more details.
+//
+// You should have received a copy of the GNU General Public License along
+// with waLBerla (see COPYING.txt). If not, see <http://www.gnu.org/licenses/>.
+//
+//! \file ContactHistoryNotification.h
+//! \author Sebastian Eibl <sebastian.eibl@fau.de>
+//
+//======================================================================================================================
+
+//======================================================================================================================
+//
+// THIS FILE IS GENERATED - PLEASE CHANGE THE TEMPLATE !!!
+//
+//======================================================================================================================
+
+#pragma once
+
+#include <mesa_pd/data/ContactHistory.h>
+#include <mesa_pd/data/DataTypes.h>
+
+#include <core/mpi/BufferDataTypeExtensions.h>
+#include <core/mpi/Datatype.h>
+#include <core/mpi/RecvBuffer.h>
+#include <core/mpi/SendBuffer.h>
+
+#include <map>
+
+namespace walberla {
+namespace mesa_pd {
+
+/**
+ * Trasmits the contact history
+ */
+class ContactHistoryNotification
+{
+public:
+ struct Parameters
+ {
+ id_t uid_;
+ std::map<walberla::id_t, walberla::mesa_pd::data::ContactHistory> contactHistory_;
+ };
+
+ inline explicit ContactHistoryNotification( const data::Particle& p ) : p_(p) {}
+
+ const data::Particle& p_;
+};
+
+void reduce(data::Particle&& p, const ContactHistoryNotification::Parameters& objparam)
+{
+ auto& ch = p.getNewContactHistoryRef();
+ for (auto& entry : objparam.contactHistory_)
+ {
+ auto ret = ch.insert(entry);
+ WALBERLA_CHECK(ret.second, "entry already present: " << entry.first << " / " << entry.second);
+ }
+}
+
+} // namespace mesa_pd
+} // namespace walberla
+
+//======================================================================================================================
+//
+// Send/Recv Buffer Serialization Specialization
+//
+//======================================================================================================================
+
+namespace walberla {
+namespace mpi {
+
+template< typename T, // Element type of SendBuffer
+ typename G> // Growth policy of SendBuffer
+mpi::GenericSendBuffer<T,G>& operator<<( mpi::GenericSendBuffer<T,G> & buf, const mesa_pd::ContactHistoryNotification& obj )
+{
+ buf.addDebugMarker( "ft" );
+ buf << obj.p_.getUid();
+ buf << obj.p_.getNewContactHistory();
+ return buf;
+}
+
+template< typename T> // Element type of RecvBuffer
+mpi::GenericRecvBuffer<T>& operator>>( mpi::GenericRecvBuffer<T> & buf, mesa_pd::ContactHistoryNotification::Parameters& objparam )
+{
+ buf.readDebugMarker( "ft" );
+ buf >> objparam.uid_;
+ buf >> objparam.contactHistory_;
+ return buf;
+}
+
+} // mpi
+} // walberla
diff --git a/python/mesa_pd/templates/mpi/notifications/ForceTorqueNotification.templ.h b/python/mesa_pd/templates/mpi/notifications/ForceTorqueNotification.templ.h
new file mode 100644
index 000000000..f00db9e42
--- /dev/null
+++ b/python/mesa_pd/templates/mpi/notifications/ForceTorqueNotification.templ.h
@@ -0,0 +1,113 @@
+//======================================================================================================================
+//
+// This file is part of waLBerla. waLBerla is free software: you can
+// redistribute it and/or modify it under the terms of the GNU General Public
+// License as published by the Free Software Foundation, either version 3 of
+// the License, or (at your option) any later version.
+//
+// waLBerla is distributed in the hope that it will be useful, but WITHOUT
+// ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
+// FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License
+// for more details.
+//
+// You should have received a copy of the GNU General Public License along
+// with waLBerla (see COPYING.txt). If not, see <http://www.gnu.org/licenses/>.
+//
+//! \file ParticlePropertyNotification.h
+//! \author Sebastian Eibl <sebastian.eibl@fau.de>
+//
+//======================================================================================================================
+
+//======================================================================================================================
+//
+// THIS FILE IS GENERATED - PLEASE CHANGE THE TEMPLATE !!!
+//
+//======================================================================================================================
+
+#pragma once
+
+#include <mesa_pd/data/DataTypes.h>
+#include <mesa_pd/data/ParticleStorage.h>
+#include <mesa_pd/mpi/notifications/NotificationType.h>
+
+#include <core/mpi/Datatype.h>
+#include <core/mpi/RecvBuffer.h>
+#include <core/mpi/SendBuffer.h>
+
+namespace walberla {
+namespace mesa_pd {
+
+/**
+ * Trasmits force and torque information.
+ */
+class ForceTorqueNotification
+{
+public:
+ struct Parameters
+ {
+ id_t uid_;
+ Vec3 force_;
+ Vec3 torque_;
+ };
+
+ inline explicit ForceTorqueNotification( const data::Particle& p ) : p_(p) {}
+
+ const data::Particle& p_;
+};
+
+void reduce(data::Particle&& p, const ForceTorqueNotification::Parameters& objparam)
+{
+ p.getForceRef() += objparam.force_;
+ p.getTorqueRef() += objparam.torque_;
+}
+
+void update(data::Particle&& p, const ForceTorqueNotification::Parameters& objparam)
+{
+ p.setForce( objparam.force_ );
+ p.setTorque( objparam.torque_ );
+}
+
+} // namespace mesa_pd
+} // namespace walberla
+
+//======================================================================================================================
+//
+// Send/Recv Buffer Serialization Specialization
+//
+//======================================================================================================================
+
+namespace walberla {
+namespace mpi {
+
+template< typename T, // Element type of SendBuffer
+ typename G> // Growth policy of SendBuffer
+mpi::GenericSendBuffer<T,G>& operator<<( mpi::GenericSendBuffer<T,G> & buf, const mesa_pd::ForceTorqueNotification& obj )
+{
+ buf.addDebugMarker( "ft" );
+ buf << obj.p_.getUid();
+ buf << obj.p_.getForce();
+ buf << obj.p_.getTorque();
+ return buf;
+}
+
+template< typename T> // Element type of RecvBuffer
+mpi::GenericRecvBuffer<T>& operator>>( mpi::GenericRecvBuffer<T> & buf, mesa_pd::ForceTorqueNotification::Parameters& objparam )
+{
+ buf.readDebugMarker( "ft" );
+ buf >> objparam.uid_;
+ buf >> objparam.force_;
+ buf >> objparam.torque_;
+ return buf;
+}
+
+template< >
+struct BufferSizeTrait< mesa_pd::ForceTorqueNotification > {
+ static const bool constantSize = true;
+ static const uint_t size = BufferSizeTrait<id_t>::size +
+ BufferSizeTrait<mesa_pd::Vec3>::size +
+ BufferSizeTrait<mesa_pd::Vec3>::size +
+ mpi::BUFFER_DEBUG_OVERHEAD;
+};
+
+} // mpi
+} // walberla
diff --git a/python/mesa_pd/templates/mpi/notifications/HeatFluxNotification.templ.h b/python/mesa_pd/templates/mpi/notifications/HeatFluxNotification.templ.h
new file mode 100644
index 000000000..fa5caceda
--- /dev/null
+++ b/python/mesa_pd/templates/mpi/notifications/HeatFluxNotification.templ.h
@@ -0,0 +1,107 @@
+//======================================================================================================================
+//
+// This file is part of waLBerla. waLBerla is free software: you can
+// redistribute it and/or modify it under the terms of the GNU General Public
+// License as published by the Free Software Foundation, either version 3 of
+// the License, or (at your option) any later version.
+//
+// waLBerla is distributed in the hope that it will be useful, but WITHOUT
+// ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
+// FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License
+// for more details.
+//
+// You should have received a copy of the GNU General Public License along
+// with waLBerla (see COPYING.txt). If not, see <http://www.gnu.org/licenses/>.
+//
+//! \file HeatFluxNotification.h
+//! \author Sebastian Eibl <sebastian.eibl@fau.de>
+//
+//======================================================================================================================
+
+//======================================================================================================================
+//
+// THIS FILE IS GENERATED - PLEASE CHANGE THE TEMPLATE !!!
+//
+//======================================================================================================================
+
+#pragma once
+
+#include <mesa_pd/data/DataTypes.h>
+#include <mesa_pd/data/ParticleStorage.h>
+#include <mesa_pd/mpi/notifications/NotificationType.h>
+
+#include <core/mpi/Datatype.h>
+#include <core/mpi/RecvBuffer.h>
+#include <core/mpi/SendBuffer.h>
+
+namespace walberla {
+namespace mesa_pd {
+
+/**
+ * Trasmits force and torque information.
+ */
+class HeatFluxNotification
+{
+public:
+ struct Parameters
+ {
+ id_t uid_;
+ real_t heatFlux_;
+ };
+
+ inline explicit HeatFluxNotification( const data::Particle& p ) : p_(p) {}
+
+ const data::Particle& p_;
+};
+
+void reduce(data::Particle&& p, const HeatFluxNotification::Parameters& objparam)
+{
+ p.getHeatFluxRef() += objparam.heatFlux_;
+}
+
+void update(data::Particle&& p, const HeatFluxNotification::Parameters& objparam)
+{
+ p.setHeatFlux( objparam.heatFlux_ );
+}
+
+} // namespace mesa_pd
+} // namespace walberla
+
+//======================================================================================================================
+//
+// Send/Recv Buffer Serialization Specialization
+//
+//======================================================================================================================
+
+namespace walberla {
+namespace mpi {
+
+template< typename T, // Element type of SendBuffer
+ typename G> // Growth policy of SendBuffer
+mpi::GenericSendBuffer<T,G>& operator<<( mpi::GenericSendBuffer<T,G> & buf, const mesa_pd::HeatFluxNotification& obj )
+{
+ buf.addDebugMarker( "hf" );
+ buf << obj.p_.getUid();
+ buf << obj.p_.getHeatFlux();
+ return buf;
+}
+
+template< typename T> // Element type of RecvBuffer
+mpi::GenericRecvBuffer<T>& operator>>( mpi::GenericRecvBuffer<T> & buf, mesa_pd::HeatFluxNotification::Parameters& objparam )
+{
+ buf.readDebugMarker( "hf" );
+ buf >> objparam.uid_;
+ buf >> objparam.heatFlux_;
+ return buf;
+}
+
+template< >
+struct BufferSizeTrait< mesa_pd::HeatFluxNotification > {
+ static const bool constantSize = true;
+ static const uint_t size = BufferSizeTrait<id_t>::size +
+ BufferSizeTrait<real_t>::size +
+ mpi::BUFFER_DEBUG_OVERHEAD;
+};
+
+} // mpi
+} // walberla
diff --git a/python/mesa_pd/templates/mpi/notifications/ParseMessage.templ.h b/python/mesa_pd/templates/mpi/notifications/ParseMessage.templ.h
new file mode 100644
index 000000000..3bab14e36
--- /dev/null
+++ b/python/mesa_pd/templates/mpi/notifications/ParseMessage.templ.h
@@ -0,0 +1,194 @@
+//======================================================================================================================
+//
+// This file is part of waLBerla. waLBerla is free software: you can
+// redistribute it and/or modify it under the terms of the GNU General Public
+// License as published by the Free Software Foundation, either version 3 of
+// the License, or (at your option) any later version.
+//
+// waLBerla is distributed in the hope that it will be useful, but WITHOUT
+// ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
+// FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License
+// for more details.
+//
+// You should have received a copy of the GNU General Public License along
+// with waLBerla (see COPYING.txt). If not, see <http://www.gnu.org/licenses/>.
+//
+//! \file ParseMessage.h
+//! \author Sebastian Eibl <sebastian.eibl@fau.de>
+//! \brief Parsing of messages
+//
+//======================================================================================================================
+
+//======================================================================================================================
+//
+// THIS FILE IS GENERATED - PLEASE CHANGE THE TEMPLATE !!!
+//
+//======================================================================================================================
+
+#pragma once
+
+#include <mesa_pd/data/ParticleStorage.h>
+#include <mesa_pd/domain/IDomain.h>
+#include <mesa_pd/mpi/notifications/NotificationType.h>
+#include <mesa_pd/mpi/notifications/ParticleCopyNotification.h>
+#include <mesa_pd/mpi/notifications/ParticleMigrationNotification.h>
+#include <mesa_pd/mpi/notifications/ParticleRemoteMigrationNotification.h>
+#include <mesa_pd/mpi/notifications/ParticleRemovalNotification.h>
+#include <mesa_pd/mpi/notifications/ParticleUpdateNotification.h>
+
+#include <core/debug/Debug.h>
+#include <core/logging/Logging.h>
+#include <core/mpi/RecvBuffer.h>
+
+namespace walberla {
+namespace mesa_pd {
+
+class ParseMessage
+{
+public:
+ void operator()(int sender,
+ walberla::mpi::RecvBuffer& rb,
+ data::ParticleStorage& ps,
+ const domain::IDomain& domain);
+private:
+ int receiver_ = int_c( walberla::mpi::MPIManager::instance()->rank() );
+};
+
+inline
+void ParseMessage::operator()(int sender,
+ walberla::mpi::RecvBuffer& rb,
+ data::ParticleStorage& ps,
+ const domain::IDomain& domain)
+{
+ NotificationType notificationType;
+ rb >> notificationType;
+
+ switch( notificationType ) {
+ case PARTICLE_COPY_NOTIFICATION: {
+ typename ParticleCopyNotification::Parameters objparam;
+ rb >> objparam;
+
+ WALBERLA_LOG_DETAIL( "Received PARTICLE_COPY_NOTIFICATION for particle " << objparam.uid << "from neighboring process with rank " << sender );
+
+ WALBERLA_CHECK_EQUAL( ps.find(objparam.uid), ps.end(), "Ghost particle with id " << objparam.uid << " already existend.");
+
+ auto pIt = createNewParticle(ps, objparam);
+
+ domain.correctParticlePosition(pIt->getPositionRef());
+
+ WALBERLA_CHECK(!data::particle_flags::isSet(pIt->getFlags(), data::particle_flags::GHOST));
+ data::particle_flags::set(pIt->getFlagsRef(), data::particle_flags::GHOST);
+
+ WALBERLA_LOG_DETAIL( "Processed PARTICLE_COPY_NOTIFICATION for particle " << objparam.uid << "." );
+
+ break;
+ }
+ case PARTICLE_UPDATE_NOTIFICATION: {
+ typename ParticleUpdateNotification::Parameters objparam;
+ rb >> objparam;
+
+ WALBERLA_LOG_DETAIL( "Received PARTICLE_UPDATE_NOTIFICATION for particle " << objparam.uid <<
+ " from neighboring process with rank " << sender );
+
+ auto pIt = ps.find( objparam.uid );
+ WALBERLA_CHECK_UNEQUAL( pIt, ps.end() );
+
+ WALBERLA_CHECK_EQUAL( pIt->getOwner(), sender, "Update notifications must be sent by owner." );
+ WALBERLA_CHECK(data::particle_flags::isSet(pIt->getFlags(), data::particle_flags::GHOST),
+ "Update notification must only concern shadow copies.");
+
+ {%- for prop in properties %}
+ {%- if prop.syncMode in ["ALWAYS"] %}
+ pIt->set{{prop.name | capFirst}}(objparam.{{prop.name}});
+ {%- endif %}
+ {%- endfor %}
+
+ domain.correctParticlePosition(pIt->getPositionRef());
+
+ WALBERLA_LOG_DETAIL( "Processed PARTICLE_UPDATE_NOTIFICATION." );
+
+ break;
+ }
+ case PARTICLE_MIGRATION_NOTIFICATION: {
+ ParticleMigrationNotification::Parameters objparam;
+ rb >> objparam;
+
+ WALBERLA_LOG_DETAIL( "Received PARTICLE_MIGRATION_NOTIFICATION for particle " << objparam.uid_ <<
+ " from neighboring process with rank " << sender );
+
+ auto pIt = ps.find( objparam.uid_ );
+ WALBERLA_CHECK_UNEQUAL( pIt, ps.end(),
+ "Object with id: " << objparam.uid_ << " not found! Cannot transfer ownership!" );
+ WALBERLA_CHECK_EQUAL( sender, pIt->getOwner(), "Migration notifications must be sent by previous owner.");
+ WALBERLA_CHECK(data::particle_flags::isSet(pIt->getFlags(), data::particle_flags::GHOST),
+ "Migration notification must only concern ghost particles");
+
+ WALBERLA_CHECK( domain.isContainedInProcessSubdomain( uint_c(receiver_), pIt->getPosition() ),
+ "Receiving particle migration even though we do not own it." );
+
+ pIt->setOwner(receiver_);
+ data::particle_flags::unset(pIt->getFlagsRef(), data::particle_flags::GHOST);
+ {%- for prop in properties %}
+ {%- if prop.syncMode in ["MIGRATION"] %}
+ pIt->set{{prop.name | capFirst}}(objparam.{{prop.name}}_);
+ {%- endif %}
+ {%- endfor %}
+
+ WALBERLA_LOG_DETAIL( "Processed PARTICLE_MIGRATION_NOTIFICATION." );
+
+ break;
+ }
+ case PARTICLE_REMOTE_MIGRATION_NOTIFICATION: {
+ ParticleRemoteMigrationNotification::Parameters objparam;
+ rb >> objparam;
+
+ WALBERLA_LOG_DETAIL( "Received PARTICLE_REMOTE_MIGRATION_NOTIFICATION for particle " << objparam.uid_ <<
+ " from neighboring process with rank " << sender <<
+ " (previous owner):\nnew owner = " << objparam.newOwner_ );
+
+ auto pIt = ps.find( objparam.uid_ );
+ WALBERLA_CHECK_UNEQUAL( pIt, ps.end() );
+
+ WALBERLA_CHECK_EQUAL( sender, pIt->getOwner(),
+ "Remote migration notifications must be sent by previous owner." );
+ WALBERLA_CHECK(data::particle_flags::isSet(pIt->getFlags(), data::particle_flags::GHOST),
+ "Particles in remote migration notifications must be available as ghost particles in local process.");
+ WALBERLA_CHECK_UNEQUAL( objparam.newOwner_, receiver_,
+ "Particles in remote migration notifications may not migrate to local process." );
+
+ pIt->setOwner(objparam.newOwner_);
+
+ WALBERLA_LOG_DETAIL( "Processed PARTICLE_REMOTE_MIGRATION_NOTIFICATION." );
+
+ break;
+ }
+ case PARTICLE_REMOVAL_NOTIFICATION: {
+ ParticleRemovalNotification::Parameters objparam;
+ rb >> objparam;
+
+ WALBERLA_LOG_DETAIL( "Received PARTICLE_REMOVAL_NOTIFICATION for particle " << objparam.uid_ <<
+ " from neighboring process with rank " << sender << " (owner)." );
+
+ // Remove ghost particle as prompted.
+ auto pIt = ps.find( objparam.uid_ );
+ WALBERLA_CHECK_UNEQUAL( pIt, ps.end() );
+
+ WALBERLA_CHECK(data::particle_flags::isSet(pIt->getFlags(), data::particle_flags::GHOST),
+ "Only ghost particles should be removed by this message.");
+
+ WALBERLA_CHECK_EQUAL( pIt->getOwner(), sender,
+ "Only owner is allowed to send removal notifications." );
+
+ ps.erase(pIt);
+
+ WALBERLA_LOG_DETAIL( "Processed PARTICLE_REMOVAL_NOTIFICATION" );
+
+ break;
+ }
+ default:
+ throw std::runtime_error( "Received invalid notification type." );
+ }
+}
+
+} // namespace mesa_pd
+} // namespace walberla
diff --git a/python/mesa_pd/templates/mpi/notifications/ParticleCopyNotification.templ.h b/python/mesa_pd/templates/mpi/notifications/ParticleCopyNotification.templ.h
new file mode 100644
index 000000000..f9dbf1988
--- /dev/null
+++ b/python/mesa_pd/templates/mpi/notifications/ParticleCopyNotification.templ.h
@@ -0,0 +1,118 @@
+//======================================================================================================================
+//
+// This file is part of waLBerla. waLBerla is free software: you can
+// redistribute it and/or modify it under the terms of the GNU General Public
+// License as published by the Free Software Foundation, either version 3 of
+// the License, or (at your option) any later version.
+//
+// waLBerla is distributed in the hope that it will be useful, but WITHOUT
+// ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
+// FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License
+// for more details.
+//
+// You should have received a copy of the GNU General Public License along
+// with waLBerla (see COPYING.txt). If not, see <http://www.gnu.org/licenses/>.
+//
+//! \file ParticleCopyNotification.h
+//! \author Sebastian Eibl <sebastian.eibl@fau.de>
+//
+//======================================================================================================================
+
+//======================================================================================================================
+//
+// THIS FILE IS GENERATED - PLEASE CHANGE THE TEMPLATE !!!
+//
+//======================================================================================================================
+
+#pragma once
+
+#include <mesa_pd/data/DataTypes.h>
+#include <mesa_pd/data/ParticleStorage.h>
+#include <mesa_pd/mpi/notifications/NotificationType.h>
+
+#include <core/mpi/Datatype.h>
+#include <core/mpi/RecvBuffer.h>
+#include <core/mpi/SendBuffer.h>
+
+namespace walberla {
+namespace mesa_pd {
+
+/**
+ * A complete particle copy for a new ghost particle.
+ *
+ * Copies all properties marked COPY or ALWAYS.
+ */
+class ParticleCopyNotification
+{
+public:
+ struct Parameters
+ {
+ {%- for prop in properties %}
+ {%- if prop.syncMode in ["COPY", "ALWAYS"] %}
+ {{prop.type}} {{prop.name}} {{'{'}}{{prop.defValue}}{{'}'}};
+ {%- endif %}
+ {%- endfor %}
+ };
+
+ inline explicit ParticleCopyNotification( const data::Particle& particle ) : particle_(particle) {}
+ const data::Particle& particle_;
+};
+
+inline data::ParticleStorage::iterator createNewParticle(data::ParticleStorage& ps, const ParticleCopyNotification::Parameters& data)
+{
+ WALBERLA_ASSERT_EQUAL(ps.find(data.uid), ps.end(), "Particle with same uid already existent!");
+
+ auto pIt = ps.create(data.uid);
+ {%- for prop in properties %}
+ {%- if prop.syncMode in ["COPY", "ALWAYS"] %}
+ pIt->set{{prop.name | capFirst}}(data.{{prop.name}});
+ {%- endif %}
+ {%- endfor %}
+ return pIt;
+}
+
+template<>
+struct NotificationTrait<ParticleCopyNotification>
+{
+ static const NotificationType id = PARTICLE_COPY_NOTIFICATION;
+};
+
+} // namespace mesa_pd
+} // namespace walberla
+
+//======================================================================================================================
+//
+// Send/Recv Buffer Serialization Specialization
+//
+//======================================================================================================================
+
+namespace walberla {
+namespace mpi {
+
+template< typename T, // Element type of SendBuffer
+ typename G> // Growth policy of SendBuffer
+mpi::GenericSendBuffer<T,G>& operator<<( mpi::GenericSendBuffer<T,G> & buf, const mesa_pd::ParticleCopyNotification& obj )
+{
+ buf.addDebugMarker( "cn" );
+ {%- for prop in properties %}
+ {%- if prop.syncMode in ["COPY", "ALWAYS"] %}
+ buf << obj.particle_.get{{prop.name | capFirst}}();
+ {%- endif %}
+ {%- endfor %}
+ return buf;
+}
+
+template< typename T> // Element type of RecvBuffer
+mpi::GenericRecvBuffer<T>& operator>>( mpi::GenericRecvBuffer<T> & buf, mesa_pd::ParticleCopyNotification::Parameters& objparam )
+{
+ buf.readDebugMarker( "cn" );
+ {%- for prop in properties %}
+ {%- if prop.syncMode in ["COPY", "ALWAYS"] %}
+ buf >> objparam.{{prop.name}};
+ {%- endif %}
+ {%- endfor %}
+ return buf;
+}
+
+} // mpi
+} // walberla
diff --git a/python/mesa_pd/templates/mpi/notifications/ParticleMigrationNotification.templ.h b/python/mesa_pd/templates/mpi/notifications/ParticleMigrationNotification.templ.h
new file mode 100644
index 000000000..3e78ed0b7
--- /dev/null
+++ b/python/mesa_pd/templates/mpi/notifications/ParticleMigrationNotification.templ.h
@@ -0,0 +1,110 @@
+//======================================================================================================================
+//
+// This file is part of waLBerla. waLBerla is free software: you can
+// redistribute it and/or modify it under the terms of the GNU General Public
+// License as published by the Free Software Foundation, either version 3 of
+// the License, or (at your option) any later version.
+//
+// waLBerla is distributed in the hope that it will be useful, but WITHOUT
+// ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
+// FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License
+// for more details.
+//
+// You should have received a copy of the GNU General Public License along
+// with waLBerla (see COPYING.txt). If not, see <http://www.gnu.org/licenses/>.
+//
+//! \file ParticleMigrationNotification.h
+//! \author Sebastian Eibl <sebastian.eibl@fau.de>
+//
+//======================================================================================================================
+
+//======================================================================================================================
+//
+// THIS FILE IS GENERATED - PLEASE CHANGE THE TEMPLATE !!!
+//
+//======================================================================================================================
+
+#pragma once
+
+#include <mesa_pd/data/ParticleStorage.h>
+#include <mesa_pd/mpi/notifications/NotificationType.h>
+
+#include <core/mpi/BufferDataTypeExtensions.h>
+#include <core/mpi/Datatype.h>
+#include <core/mpi/RecvBuffer.h>
+#include <core/mpi/SendBuffer.h>
+
+
+namespace walberla {
+namespace mesa_pd {
+
+/**
+ * Migrate the particle to this process. Making the receiver the new owner.
+ */
+class ParticleMigrationNotification {
+public:
+ struct Parameters {
+ id_t uid_;
+ {%- for prop in properties %}
+ {%- if prop.syncMode in ["MIGRATION"] %}
+ {{prop.type}} {{prop.name}}_ {{'{'}}{{prop.defValue}}{{'}'}};
+ {%- endif %}
+ {%- endfor %}
+ };
+
+ inline explicit ParticleMigrationNotification( const data::Particle& particle ) : particle_(particle) {}
+ const data::Particle& particle_;
+};
+
+template<>
+struct NotificationTrait<ParticleMigrationNotification>
+{
+ static const NotificationType id = PARTICLE_MIGRATION_NOTIFICATION;
+};
+
+} // namespace mesa_pd
+} // namespace walberla
+
+//======================================================================================================================
+//
+// Send/Recv Buffer Serialization Specialization
+//
+//======================================================================================================================
+
+namespace walberla {
+namespace mpi {
+
+template< typename T, // Element type of SendBuffer
+ typename G> // Growth policy of SendBuffer
+mpi::GenericSendBuffer<T,G>& operator<<( mpi::GenericSendBuffer<T,G> & buf, const mesa_pd::ParticleMigrationNotification& obj )
+{
+ buf.addDebugMarker( "mn" );
+ buf << obj.particle_.getUid();
+ {%- for prop in properties %}
+ {%- if prop.syncMode in ["MIGRATION"] %}
+ buf << obj.particle_.get{{prop.name | capFirst}}();
+ {%- endif %}
+ {%- endfor %}
+ return buf;
+}
+
+template< typename T> // Element type of RecvBuffer
+mpi::GenericRecvBuffer<T>& operator>>( mpi::GenericRecvBuffer<T> & buf, mesa_pd::ParticleMigrationNotification::Parameters& objparam )
+{
+ buf.readDebugMarker( "mn" );
+ buf >> objparam.uid_;
+ {%- for prop in properties %}
+ {%- if prop.syncMode in ["MIGRATION"] %}
+ buf >> objparam.{{prop.name}}_;
+ {%- endif %}
+ {%- endfor %}
+ return buf;
+}
+
+template<>
+struct BufferSizeTrait< mesa_pd::ParticleMigrationNotification > {
+ static const bool constantSize = false;
+};
+
+} // mpi
+} // walberla
diff --git a/python/mesa_pd/templates/mpi/notifications/ParticleRemoteMigrationNotification.templ.h b/python/mesa_pd/templates/mpi/notifications/ParticleRemoteMigrationNotification.templ.h
new file mode 100644
index 000000000..3a1cbceeb
--- /dev/null
+++ b/python/mesa_pd/templates/mpi/notifications/ParticleRemoteMigrationNotification.templ.h
@@ -0,0 +1,99 @@
+//======================================================================================================================
+//
+// This file is part of waLBerla. waLBerla is free software: you can
+// redistribute it and/or modify it under the terms of the GNU General Public
+// License as published by the Free Software Foundation, either version 3 of
+// the License, or (at your option) any later version.
+//
+// waLBerla is distributed in the hope that it will be useful, but WITHOUT
+// ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
+// FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License
+// for more details.
+//
+// You should have received a copy of the GNU General Public License along
+// with waLBerla (see COPYING.txt). If not, see <http://www.gnu.org/licenses/>.
+//
+//! \file ParticleRemoteMigrationNotification.h
+//! \author Sebastian Eibl <sebastian.eibl@fau.de>
+//
+//======================================================================================================================
+
+//======================================================================================================================
+//
+// THIS FILE IS GENERATED - PLEASE CHANGE THE TEMPLATE !!!
+//
+//======================================================================================================================
+
+#pragma once
+
+#include <mesa_pd/data/ParticleStorage.h>
+#include <mesa_pd/mpi/notifications/NotificationType.h>
+
+#include <core/mpi/Datatype.h>
+#include <core/mpi/RecvBuffer.h>
+#include <core/mpi/SendBuffer.h>
+
+namespace walberla {
+namespace mesa_pd {
+
+/**
+ * The ownership for one of the ghost particles has changed.
+ */
+class ParticleRemoteMigrationNotification {
+public:
+ struct Parameters {
+ id_t uid_;
+ int newOwner_;
+ };
+
+ inline ParticleRemoteMigrationNotification( const data::Particle& particle, const int& newOwner )
+ : particle_(particle), newOwner_(newOwner) {}
+ const data::Particle& particle_;
+ const int newOwner_;
+};
+
+template<>
+struct NotificationTrait<ParticleRemoteMigrationNotification>
+{
+ static const NotificationType id = PARTICLE_REMOTE_MIGRATION_NOTIFICATION;
+};
+
+} // namespace mesa_pd
+} // namespace walberla
+
+//======================================================================================================================
+//
+// Send/Recv Buffer Serialization Specialization
+//
+//======================================================================================================================
+
+namespace walberla {
+namespace mpi {
+
+template< typename T, // Element type of SendBuffer
+ typename G> // Growth policy of SendBuffer
+mpi::GenericSendBuffer<T,G>& operator<<( mpi::GenericSendBuffer<T,G> & buf, const mesa_pd::ParticleRemoteMigrationNotification& obj )
+{
+ buf.addDebugMarker( "rm" );
+ buf << obj.particle_.getUid();
+ buf << obj.newOwner_;
+ return buf;
+}
+
+template< typename T> // Element type of RecvBuffer
+mpi::GenericRecvBuffer<T>& operator>>( mpi::GenericRecvBuffer<T> & buf, mesa_pd::ParticleRemoteMigrationNotification::Parameters& objparam )
+{
+ buf.readDebugMarker( "rm" );
+ buf >> objparam.uid_;
+ buf >> objparam.newOwner_;
+ return buf;
+}
+
+template <>
+struct BufferSizeTrait< mesa_pd::ParticleRemoteMigrationNotification > {
+ static const bool constantSize = true;
+ static const uint_t size = BufferSizeTrait<id_t>::size + BufferSizeTrait<int>::size + mpi::BUFFER_DEBUG_OVERHEAD;
+};
+
+} // mpi
+} // walberla
diff --git a/python/mesa_pd/templates/mpi/notifications/ParticleRemovalNotification.templ.h b/python/mesa_pd/templates/mpi/notifications/ParticleRemovalNotification.templ.h
new file mode 100644
index 000000000..9b3e56b77
--- /dev/null
+++ b/python/mesa_pd/templates/mpi/notifications/ParticleRemovalNotification.templ.h
@@ -0,0 +1,94 @@
+//======================================================================================================================
+//
+// This file is part of waLBerla. waLBerla is free software: you can
+// redistribute it and/or modify it under the terms of the GNU General Public
+// License as published by the Free Software Foundation, either version 3 of
+// the License, or (at your option) any later version.
+//
+// waLBerla is distributed in the hope that it will be useful, but WITHOUT
+// ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
+// FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License
+// for more details.
+//
+// You should have received a copy of the GNU General Public License along
+// with waLBerla (see COPYING.txt). If not, see <http://www.gnu.org/licenses/>.
+//
+//! \file ParticleRemovalNotification.h
+//! \author Sebastian Eibl <sebastian.eibl@fau.de>
+//
+//======================================================================================================================
+
+//======================================================================================================================
+//
+// THIS FILE IS GENERATED - PLEASE CHANGE THE TEMPLATE !!!
+//
+//======================================================================================================================
+
+#pragma once
+
+#include <mesa_pd/data/ParticleStorage.h>
+#include <mesa_pd/mpi/notifications/NotificationType.h>
+
+#include <core/mpi/Datatype.h>
+#include <core/mpi/RecvBuffer.h>
+#include <core/mpi/SendBuffer.h>
+
+namespace walberla {
+namespace mesa_pd {
+
+/**
+ * The specified particle should be removed from the process.
+ */
+class ParticleRemovalNotification {
+public:
+ struct Parameters {
+ id_t uid_;
+ };
+
+ inline explicit ParticleRemovalNotification( const data::Particle& particle ) : particle_(particle) {}
+ const data::Particle& particle_;
+};
+
+template<>
+struct NotificationTrait<ParticleRemovalNotification>
+{
+ static const NotificationType id = PARTICLE_REMOVAL_NOTIFICATION;
+};
+
+} // namespace mesa_pd
+} // namespace walberla
+
+//======================================================================================================================
+//
+// Send/Recv Buffer Serialization Specialization
+//
+//======================================================================================================================
+
+namespace walberla {
+namespace mpi {
+
+template< typename T, // Element type of SendBuffer
+ typename G> // Growth policy of SendBuffer
+mpi::GenericSendBuffer<T,G>& operator<<( mpi::GenericSendBuffer<T,G> & buf, const mesa_pd::ParticleRemovalNotification& obj )
+{
+ buf.addDebugMarker( "un" );
+ buf << obj.particle_.getUid();
+ return buf;
+}
+
+template< typename T> // Element type of RecvBuffer
+mpi::GenericRecvBuffer<T>& operator>>( mpi::GenericRecvBuffer<T> & buf, mesa_pd::ParticleRemovalNotification::Parameters& objparam )
+{
+ buf.readDebugMarker( "un" );
+ buf >> objparam.uid_;
+ return buf;
+}
+
+template<>
+struct BufferSizeTrait< mesa_pd::ParticleRemovalNotification > {
+ static const bool constantSize = true;
+ static const uint_t size = BufferSizeTrait<id_t>::size + mpi::BUFFER_DEBUG_OVERHEAD;
+};
+
+} // mpi
+} // walberla
diff --git a/python/mesa_pd/templates/mpi/notifications/ParticleUpdateNotification.templ.h b/python/mesa_pd/templates/mpi/notifications/ParticleUpdateNotification.templ.h
new file mode 100644
index 000000000..dd59c8217
--- /dev/null
+++ b/python/mesa_pd/templates/mpi/notifications/ParticleUpdateNotification.templ.h
@@ -0,0 +1,103 @@
+//======================================================================================================================
+//
+// This file is part of waLBerla. waLBerla is free software: you can
+// redistribute it and/or modify it under the terms of the GNU General Public
+// License as published by the Free Software Foundation, either version 3 of
+// the License, or (at your option) any later version.
+//
+// waLBerla is distributed in the hope that it will be useful, but WITHOUT
+// ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
+// FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License
+// for more details.
+//
+// You should have received a copy of the GNU General Public License along
+// with waLBerla (see COPYING.txt). If not, see <http://www.gnu.org/licenses/>.
+//
+//! \file ParticleUpdateNotification.h
+//! \author Sebastian Eibl <sebastian.eibl@fau.de>
+//
+//======================================================================================================================
+
+//======================================================================================================================
+//
+// THIS FILE IS GENERATED - PLEASE CHANGE THE TEMPLATE !!!
+//
+//======================================================================================================================
+
+#pragma once
+
+#include <mesa_pd/data/DataTypes.h>
+#include <mesa_pd/data/ParticleStorage.h>
+#include <mesa_pd/mpi/notifications/NotificationType.h>
+
+#include <core/mpi/Datatype.h>
+#include <core/mpi/RecvBuffer.h>
+#include <core/mpi/SendBuffer.h>
+
+namespace walberla {
+namespace mesa_pd {
+
+/**
+ * Updates a ghost particle.
+ *
+ * Sends all properties marked as ALWAYS.
+ */
+class ParticleUpdateNotification {
+public:
+ struct Parameters {
+ {%- for prop in properties %}
+ {%- if prop.syncMode in ["ALWAYS"] %}
+ {{prop.type}} {{prop.name}} {{'{'}}{{prop.defValue}}{{'}'}};
+ {%- endif %}
+ {%- endfor %}
+ };
+
+ inline explicit ParticleUpdateNotification( const data::Particle& particle ) : particle_(particle) {}
+ const data::Particle& particle_;
+};
+
+template<>
+struct NotificationTrait<ParticleUpdateNotification>
+{
+ static const NotificationType id = PARTICLE_UPDATE_NOTIFICATION;
+};
+
+} // namespace mesa_pd
+} // namespace walberla
+
+//======================================================================================================================
+//
+// Send/Recv Buffer Serialization Specialization
+//
+//======================================================================================================================
+
+namespace walberla {
+namespace mpi {
+
+template< typename T, // Element type of SendBuffer
+ typename G> // Growth policy of SendBuffer
+mpi::GenericSendBuffer<T,G>& operator<<( mpi::GenericSendBuffer<T,G> & buf, const mesa_pd::ParticleUpdateNotification& obj )
+{
+ buf.addDebugMarker( "un" );
+ {%- for prop in properties %}
+ {%- if prop.syncMode in ["ALWAYS"] %}
+ buf << obj.particle_.get{{prop.name | capFirst}}();
+ {%- endif %}
+ {%- endfor %}
+ return buf;
+}
+
+template< typename T> // Element type of RecvBuffer
+mpi::GenericRecvBuffer<T>& operator>>( mpi::GenericRecvBuffer<T> & buf, mesa_pd::ParticleUpdateNotification::Parameters& objparam )
+{
+ buf.readDebugMarker( "un" );
+ {%- for prop in properties %}
+ {%- if prop.syncMode in ["ALWAYS"] %}
+ buf >> objparam.{{prop.name}};
+ {%- endif %}
+ {%- endfor %}
+ return buf;
+}
+
+} // mpi
+} // walberla
diff --git a/python/mesa_pd/templates/tests/CheckInterface.templ.cpp b/python/mesa_pd/templates/tests/CheckInterface.templ.cpp
new file mode 100644
index 000000000..6bbd8f4f3
--- /dev/null
+++ b/python/mesa_pd/templates/tests/CheckInterface.templ.cpp
@@ -0,0 +1,72 @@
+//======================================================================================================================
+//
+// This file is part of waLBerla. waLBerla is free software: you can
+// redistribute it and/or modify it under the terms of the GNU General Public
+// License as published by the Free Software Foundation, either version 3 of
+// the License, or (at your option) any later version.
+//
+// waLBerla is distributed in the hope that it will be useful, but WITHOUT
+// ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
+// FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License
+// for more details.
+//
+// You should have received a copy of the GNU General Public License along
+// with waLBerla (see COPYING.txt). If not, see <http://www.gnu.org/licenses/>.
+//
+//! \file {{InterfaceTestName}}.cpp
+//! \author Sebastian Eibl <sebastian.eibl@fau.de>
+//
+//======================================================================================================================
+
+//======================================================================================================================
+//
+// THIS FILE IS GENERATED - PLEASE CHANGE THE TEMPLATE !!!
+//
+//======================================================================================================================
+
+#include <mesa_pd/data/IAccessor.h>
+#include <mesa_pd/{{KernelInclude}}>
+
+#include <core/UniqueID.h>
+
+#include <map>
+
+namespace walberla {
+namespace mesa_pd {
+
+class Accessor : public data::IAccessor
+{
+public:
+ virtual ~Accessor() = default;
+
+ {%- for prop in interface %}
+ {%- if 'g' in prop.access %}
+ const {{prop.type}}& get{{prop.name | capFirst}}(const size_t /*p_idx*/) const {return {{prop.name}}_;}
+ {%- endif %}
+ {%- if 's' in prop.access %}
+ void set{{prop.name | capFirst}}(const size_t /*p_idx*/, const {{prop.type}}& v) { {{prop.name}}_ = v;}
+ {%- endif %}
+ {%- if 'r' in prop.access %}
+ {{prop.type}}& get{{prop.name | capFirst}}Ref(const size_t /*p_idx*/) {return {{prop.name}}_;}
+ {%- endif %}
+ {% endfor %}
+
+ id_t getInvalidUid() const {return UniqueID<int>::invalidID();}
+ size_t getInvalidIdx() const {return std::numeric_limits<size_t>::max();}
+ /**
+ * @brief Returns the index of particle specified by uid.
+ * @param uid unique id of the particle to be looked up
+ * @return the index of the particle or std::numeric_limits<size_t>::max() if the particle is not found
+ */
+ size_t uidToIdx(const id_t& /*uid*/) const {return 0;}
+ size_t size() const { return 1; }
+private:
+ {%- for prop in interface %}
+ {{prop.type}} {{prop.name}}_;
+ {%- endfor %}
+};
+
+{{ExplicitInstantiation}}
+
+} //namespace mesa_pd
+} //namespace walberla
diff --git a/python/mesa_pd/utility.py b/python/mesa_pd/utility.py
new file mode 100644
index 000000000..eff810487
--- /dev/null
+++ b/python/mesa_pd/utility.py
@@ -0,0 +1,44 @@
+# -*- coding: utf-8 -*-
+
+from jinja2 import Environment, FileSystemLoader
+import os
+
+class TerminalColor:
+ DEFAULT = '\033[0m'
+ GREEN = '\033[92m'
+ YELLOW = '\033[93m'
+ RED = '\033[91m'
+
+def find(f, seq):
+ """Return first item in sequence where f(item) == True."""
+ for item in seq:
+ if f(item):
+ return item
+ return None
+
+def capFirst(s):
+ return s[0].capitalize() + s[1:]
+
+def getJinjaEnvironment():
+ dirname = os.path.dirname(__file__)
+ env = Environment(loader=FileSystemLoader(dirname + '/templates'))
+ env.filters['capFirst'] = capFirst
+ return env
+
+def checkInterface(path, template, accessor):
+ with open(path + template, 'r') as myfile:
+ data = myfile.read()
+ for prop in accessor.properties:
+ for func in prop.getFunctionNames():
+ if not (func in data):
+ raise RuntimeError("{} required but not used in kernel ({})".format(func, template))
+
+def generateFile(path, template, context = {}, filename=None):
+ if filename==None:
+ filename = template.replace(".templ", "")
+ env = getJinjaEnvironment()
+ print("generating: " + path + filename)
+ fout = open(path + filename, "wb")
+ content = env.get_template(template).render(context)
+ fout.write(content.encode('utf8'))
+ fout.close()
diff --git a/src/core/math/Quaternion.h b/src/core/math/Quaternion.h
index f61ac6f4d..dd3a4298a 100644
--- a/src/core/math/Quaternion.h
+++ b/src/core/math/Quaternion.h
@@ -235,7 +235,12 @@ template< typename Type > // Data type of the quaternion
inline Quaternion<Type>::Quaternion( Type r, Type i, Type j, Type k )
{
v_[0] = r; v_[1] = i; v_[2] = j; v_[3] = k;
- WALBERLA_CHECK_FLOAT_EQUAL( r*r + i*i + j*j + k*k, Type(1), "Invalid quaternion parameters" );
+
+ WALBERLA_CHECK_FLOAT_EQUAL( r*r + i*i + j*j + k*k, Type(1), "Invalid quaternion parameters:\n" <<
+ "r: " << r << "\n" <<
+ "i: " << i << "\n" <<
+ "j: " << j << "\n" <<
+ "k: " << k);
}
//*************************************************************************************************
@@ -495,7 +500,9 @@ inline const Matrix3<Type> Quaternion<Type>::toRotationMatrix() const
template< typename Type >
inline Type Quaternion<Type>::getAngle() const
{
- return Type(2)*std::acos(v_[0]);
+ //due to numerical accuracy v_[0] might be slightly larger than 1
+ //which will results in nan for the acos function.
+ if (v_[0]<Type(1)) return Type(2)*std::acos(v_[0]); else return Type(0);
}
//*************************************************************************************************
@@ -510,11 +517,17 @@ inline Type Quaternion<Type>::getAngle() const
template< typename Type >
inline const Vector3<Type> Quaternion<Type>::getAxis() const
{
- Type s( std::sqrt( 1-v_[0]*v_[0] ) );
- if (s < std::numeric_limits<Type>::epsilon())
+ // tmp might be negative due to numerical accuracy
+ // check before putting it into sqrt!!!
+ auto tmp = Type(1)-v_[0]*v_[0];
+
+ if (tmp < std::numeric_limits<Type>::epsilon())
+ {
return Vector3<Type>( 1, 0, 0 );
- else
+ } else {
+ Type s( std::sqrt( tmp ) );
return Vector3<Type>( v_[1] / s, v_[2] / s, v_[3] / s );
+ }
}
//*************************************************************************************************
@@ -1054,6 +1067,7 @@ inline const Quaternion< typename MathTrait<T1,T2>::MultType >
const MT k( lhs[0]*rhs[3] + lhs[3]*rhs[0] + lhs[1]*rhs[2] - lhs[2]*rhs[1] );
const MT len2( r*r + i*i + j*j + k*k );
+ WALBERLA_ASSERT(!std::isnan(len2), lhs << "\n" << rhs);
if( std::fabs( len2 - MT(1) ) < MT(1E-8) ) {
return Quaternion<MT>( r, i, j, k );
diff --git a/src/core/math/Rot3.h b/src/core/math/Rot3.h
index 30b4952d6..71f8d629c 100644
--- a/src/core/math/Rot3.h
+++ b/src/core/math/Rot3.h
@@ -47,31 +47,72 @@ class Rot3
/*! \endcond */
//**********************************************************************************************
public:
- Rot3(const Quaternion<Type>& q);
+ Rot3();
+ Rot3(const Vector3<Type>& rot);
+ Rot3(const Vector3<Type>& axis, const real_t& angle);
+ Rot3(const Quaternion<Type> q);
const Quaternion<Type>& getQuaternion() const { return quat_; }
const Matrix3<Type>& getMatrix() const { return mat_; }
- void rotate(const Quaternion<Type>& q);
+ void rotate(const Vector3<Type>& rot);
+ void rotate(const Vector3<Type>& axis, const real_t& angle);
private:
Quaternion<Type> quat_;
Matrix3<Type> mat_;
};
template< typename Type > // floating point type
-inline Rot3<Type>::Rot3(const Quaternion<Type>& q)
- : quat_(q)
- , mat_ (q.toRotationMatrix())
+inline Rot3<Type>::Rot3()
+ : quat_(Vector3<Type>(Type(1),Type(0),Type(0)), Type(0))
+ , mat_(quat_.toRotationMatrix())
{
WALBERLA_ASSERT_FLOAT_EQUAL( mat_.getDeterminant(), real_t(1), "Corrupted rotation matrix determinant" );
}
template< typename Type > // floating point type
-inline void Rot3<Type>::rotate(const Quaternion<Type>& q)
+inline Rot3<Type>::Rot3(const Vector3<Type>& phi)
+ : Rot3<Type>()
{
- quat_ = q * quat_;
- mat_ = quat_.toRotationMatrix();
- WALBERLA_ASSERT_FLOAT_EQUAL( mat_.getDeterminant(), real_t(1), "Corrupted rotation matrix determinant" );
+ rotate(phi);
+}
+
+template< typename Type > // floating point type
+inline Rot3<Type>::Rot3(const Vector3<Type>& axis, const real_t& angle)
+ : Rot3<Type>()
+{
+ rotate(axis, angle);
+}
+
+template< typename Type > // floating point type
+inline Rot3<Type>::Rot3(const Quaternion<Type> q)
+ : quat_(q)
+ , mat_(quat_.toRotationMatrix())
+{}
+
+template< typename Type > // floating point type
+inline void Rot3<Type>::rotate(const Vector3<Type>& phi)
+{
+ auto len = phi.length();
+ if (!floatIsEqual(len, 0))
+ {
+ auto q = Quaternion<Type>( phi, len );
+ quat_ = q * quat_;
+ mat_ = quat_.toRotationMatrix();
+ WALBERLA_ASSERT_FLOAT_EQUAL( mat_.getDeterminant(), real_t(1), "Corrupted rotation matrix determinant" );
+ }
+}
+
+template< typename Type > // floating point type
+inline void Rot3<Type>::rotate(const Vector3<Type>& axis, const real_t& angle)
+{
+ if (!floatIsEqual(angle, 0))
+ {
+ auto q = Quaternion<Type>( axis, angle );
+ quat_ = q * quat_;
+ mat_ = quat_.toRotationMatrix();
+ WALBERLA_ASSERT_FLOAT_EQUAL( mat_.getDeterminant(), real_t(1), "Corrupted rotation matrix determinant" );
+ }
}
template< typename Type > // floating point type
diff --git a/src/core/math/Vector3.h b/src/core/math/Vector3.h
index c322c1380..c5ec3e7b8 100644
--- a/src/core/math/Vector3.h
+++ b/src/core/math/Vector3.h
@@ -882,7 +882,7 @@ Vector3<typename Vector3<Type>::Length> Vector3<Type>::getNormalizedOrZero() con
static_cast<Length>( v_[1] ) * ilen,
static_cast<Length>( v_[2] ) * ilen );
- WALBERLA_ASSERT_FLOAT_EQUAL( result.sqrLength(), 1.0 );
+ WALBERLA_ASSERT_FLOAT_EQUAL( result.sqrLength(), 1.0, "initial vector: " << result );
return result;
}
diff --git a/src/core/timing/TimingPool.cpp b/src/core/timing/TimingPool.cpp
index 372a81b6a..dff973201 100644
--- a/src/core/timing/TimingPool.cpp
+++ b/src/core/timing/TimingPool.cpp
@@ -295,7 +295,7 @@ void TimingPool<TP>::print( std::ostream & os ) const
os << setw(firstColumn-1) << std::left << i->first << " " << "|";
os << setw(PERCENT_COLUMN-2) << std::right << std::fixed << std::setprecision(2) << percentage << "% |";
os << setw(OTHER_COLUMNS) << std::right << ( ( count == uint_t(0) ) ? 0.0 : i->second.total() ) << "|";
- os << setw(OTHER_COLUMNS) << std::right << ( ( count == uint_t(0) ) ? 0.0 : i->second.average() ) << "|";
+ os << setw(OTHER_COLUMNS) << std::right << std::setprecision(3) << ( ( count == uint_t(0) ) ? 0.0 : i->second.average() ) << "|";
os << setw(OTHER_COLUMNS) << std::right << i->second.getCounter() << "|";
os << setw(OTHER_COLUMNS) << std::right << ( ( count == uint_t(0) ) ? 0.0 : i->second.min() ) << "|";
os << setw(OTHER_COLUMNS) << std::right << ( ( count == uint_t(0) ) ? 0.0 : i->second.max() ) << "|";
diff --git a/src/mesa_pd/CMakeLists.txt b/src/mesa_pd/CMakeLists.txt
new file mode 100644
index 000000000..744387e40
--- /dev/null
+++ b/src/mesa_pd/CMakeLists.txt
@@ -0,0 +1,8 @@
+
+###################################################################################################
+#
+# Module rigid particle dynamics (RPD)
+#
+###################################################################################################
+
+waLBerla_add_module( DEPENDS blockforest core pe stencil vtk )
diff --git a/src/mesa_pd/collision_detection/AnalyticCollisionFunctions.h b/src/mesa_pd/collision_detection/AnalyticCollisionFunctions.h
new file mode 100644
index 000000000..62f4f30e5
--- /dev/null
+++ b/src/mesa_pd/collision_detection/AnalyticCollisionFunctions.h
@@ -0,0 +1,92 @@
+//======================================================================================================================
+//
+// This file is part of waLBerla. waLBerla is free software: you can
+// redistribute it and/or modify it under the terms of the GNU General Public
+// License as published by the Free Software Foundation, either version 3 of
+// the License, or (at your option) any later version.
+//
+// waLBerla is distributed in the hope that it will be useful, but WITHOUT
+// ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
+// FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License
+// for more details.
+//
+// You should have received a copy of the GNU General Public License along
+// with waLBerla (see COPYING.txt). If not, see <http://www.gnu.org/licenses/>.
+//
+//! \file AnalyticCollisionFunctions.h
+//! \author Sebastian Eibl <sebastian.eibl@fau.de>
+//
+//======================================================================================================================
+
+#pragma once
+
+#include <mesa_pd/data/DataTypes.h>
+
+#include <core/logging/Logging.h>
+
+namespace walberla {
+namespace mesa_pd {
+namespace collision_detection {
+namespace analytic {
+
+inline
+bool detectSphereSphereCollision( const Vec3& pos1,
+ const real_t& radius1,
+ const Vec3& pos2,
+ const real_t& radius2,
+ Vec3& contactPoint,
+ Vec3& contactNormal,
+ real_t& penetrationDepth,
+ const real_t& contactThreshold)
+{
+ contactNormal = pos1 - pos2;
+ auto contactNormalSq = contactNormal.sqrLength();
+ real_t separationDist = radius1 + radius2 + contactThreshold;
+
+ if( contactNormalSq < separationDist * separationDist ) {
+ penetrationDepth = std::sqrt(contactNormalSq) - radius1 - radius2;
+ math::normalize(contactNormal);
+ const real_t k( radius2 + real_c(0.5) * penetrationDepth );
+ contactPoint = ( pos2 + contactNormal * k );
+ return true;
+ }
+ return false;
+}
+
+inline
+bool detectSphereHalfSpaceCollision( const Vec3& pos1,
+ const real_t& radius1,
+ const Vec3& pos2,
+ const Vec3& normal2,
+ Vec3& contactPoint,
+ Vec3& contactNormal,
+ real_t& penetrationDepth,
+ const real_t& contactThreshold)
+{
+ /**
+ * Plane displacement from the origin.
+ *
+ * The displacement can be categorized in the following way:\n
+ * - > 0: The global origin is inside the plane\n
+ * - < 0: The global origin is outside the plane\n
+ * - = 0: The global origin is on the surface of the plane
+ **/
+ const real_t d = math::dot(normal2, pos2);
+
+ const real_t k = math::dot(normal2, pos1);
+ penetrationDepth = ( k - radius1 - d );
+
+ if( penetrationDepth < contactThreshold )
+ {
+ contactPoint = ( pos1 - ( radius1 + penetrationDepth ) * normal2 );
+ contactNormal = normal2;
+ return true;
+ }
+ return false;
+}
+
+
+} //namespace collision_detection
+} //namespace analytic
+} //namespace mesa_pd
+} //namespace walberla
diff --git a/src/mesa_pd/collision_detection/AnalyticContactDetection.h b/src/mesa_pd/collision_detection/AnalyticContactDetection.h
new file mode 100644
index 000000000..dd5656bf5
--- /dev/null
+++ b/src/mesa_pd/collision_detection/AnalyticContactDetection.h
@@ -0,0 +1,178 @@
+//======================================================================================================================
+//
+// This file is part of waLBerla. waLBerla is free software: you can
+// redistribute it and/or modify it under the terms of the GNU General Public
+// License as published by the Free Software Foundation, either version 3 of
+// the License, or (at your option) any later version.
+//
+// waLBerla is distributed in the hope that it will be useful, but WITHOUT
+// ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
+// FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License
+// for more details.
+//
+// You should have received a copy of the GNU General Public License along
+// with waLBerla (see COPYING.txt). If not, see <http://www.gnu.org/licenses/>.
+//
+//! \file AnalyticContactDetection.h
+//! \author Sebastian Eibl <sebastian.eibl@fau.de>
+//
+//======================================================================================================================
+
+#pragma once
+
+#include <mesa_pd/collision_detection/AnalyticCollisionFunctions.h>
+#include <mesa_pd/data/DataTypes.h>
+#include <mesa_pd/data/shape/BaseShape.h>
+#include <mesa_pd/data/shape/HalfSpace.h>
+#include <mesa_pd/data/shape/Sphere.h>
+
+#include <core/logging/Logging.h>
+
+namespace walberla {
+namespace mesa_pd {
+namespace collision_detection {
+
+/**
+ * Collision detection functor which uses analytic functions.
+ *
+ * Calculates and stores contact information between two particles.
+ * If a collision was successfully detected by the operator()
+ * contactPoint, contactNormal and penetrationDepth contain the
+ * contact information. If no collision was detected the values of
+ * these variables is undefined!
+ */
+class AnalyticContactDetection
+{
+public:
+ size_t& getIdx1() {return idx1_;}
+ size_t& getIdx2() {return idx2_;}
+ Vec3& getContactPoint() {return contactPoint_;}
+ Vec3& getContactNormal() {return contactNormal_;}
+ real_t& getPenetrationDepth() {return penetrationDepth_;}
+
+ const size_t& getIdx1() const {return idx1_;}
+ const size_t& getIdx2() const {return idx2_;}
+ const Vec3& getContactPoint() const {return contactPoint_;}
+ const Vec3& getContactNormal() const {return contactNormal_;}
+ const real_t& getPenetrationDepth() const {return penetrationDepth_;}
+
+ real_t& getContactThreshold() {return contactThreshold_;}
+
+ template <typename GEO1_T, typename GEO2_T, typename Accessor>
+ bool operator()( const size_t idx1,
+ const size_t idx2,
+ const GEO1_T& geo1,
+ const GEO2_T& geo2,
+ Accessor& ac);
+
+ template <typename Accessor>
+ bool operator()( const size_t idx1,
+ const size_t idx2,
+ const data::Sphere& geo1,
+ const data::Sphere& geo2,
+ Accessor& ac);
+
+ template <typename Accessor>
+ bool operator()( const size_t idx1,
+ const size_t idx2,
+ const data::Sphere& s,
+ const data::HalfSpace& p,
+ Accessor& ac );
+
+ template <typename Accessor>
+ bool operator()( const size_t idx1,
+ const size_t idx2,
+ const data::HalfSpace& p,
+ const data::Sphere& s,
+ Accessor& ac);
+
+private:
+ size_t idx1_;
+ size_t idx2_;
+ Vec3 contactPoint_;
+ Vec3 contactNormal_;
+ real_t penetrationDepth_;
+
+ real_t contactThreshold_ = real_t(0.0);
+};
+
+template <typename GEO1_T, typename GEO2_T, typename Accessor>
+inline bool AnalyticContactDetection::operator()( const size_t /*idx1*/,
+ const size_t /*idx2*/,
+ const GEO1_T& /*geo1*/,
+ const GEO2_T& /*geo2*/,
+ Accessor& /*ac*/)
+{
+ WALBERLA_ABORT("Collision not implemented!")
+}
+
+template <typename Accessor>
+inline bool AnalyticContactDetection::operator()( const size_t idx1,
+ const size_t idx2,
+ const data::Sphere& geo1,
+ const data::Sphere& geo2,
+ Accessor& ac)
+{
+ WALBERLA_ASSERT_UNEQUAL(idx1, idx2, "colliding with itself!");
+
+ //ensure collision order idx2 has to be larger than idx1
+ if (ac.getUid(idx2) < ac.getUid(idx1))
+ return operator()(idx2, idx1, geo2, geo1, ac);
+
+ getIdx1() = idx1;
+ getIdx2() = idx2;
+ return analytic::detectSphereSphereCollision(ac.getPosition(getIdx1()),
+ geo1.getRadius(),
+ ac.getPosition(getIdx2()),
+ geo2.getRadius(),
+ getContactPoint(),
+ getContactNormal(),
+ getPenetrationDepth(),
+ getContactThreshold());
+}
+
+template <typename Accessor>
+inline bool AnalyticContactDetection::operator()( const size_t idx1,
+ const size_t idx2,
+ const data::Sphere& s,
+ const data::HalfSpace& p,
+ Accessor& ac )
+{
+ WALBERLA_ASSERT_UNEQUAL(idx1, idx2, "colliding with itself!");
+
+ getIdx1() = idx1;
+ getIdx2() = idx2;
+ return analytic::detectSphereHalfSpaceCollision(ac.getPosition(getIdx1()),
+ s.getRadius(),
+ ac.getPosition(getIdx2()),
+ p.getNormal(),
+ getContactPoint(),
+ getContactNormal(),
+ getPenetrationDepth(),
+ getContactThreshold());
+}
+
+template <typename Accessor>
+inline bool AnalyticContactDetection::operator()( const size_t idx1,
+ const size_t idx2,
+ const data::HalfSpace& p,
+ const data::Sphere& s,
+ Accessor& ac)
+{
+ return operator()(idx2, idx1, s, p, ac);
+}
+
+inline
+std::ostream& operator<<( std::ostream& os, const AnalyticContactDetection& ac )
+{
+ os << "idx1: " << ac.getIdx1() << "\n" <<
+ "idx2: " << ac.getIdx2() << "\n" <<
+ "contact point: " << ac.getContactPoint() << "\n" <<
+ "contact normal: " << ac.getContactNormal() << "\n" <<
+ "penetration depth: " << ac.getPenetrationDepth() << std::endl;
+ return os;
+}
+
+} //namespace collision_detection
+} //namespace mesa_pd
+} //namespace walberla
diff --git a/src/mesa_pd/collision_detection/BroadPhase.h b/src/mesa_pd/collision_detection/BroadPhase.h
new file mode 100644
index 000000000..07fe49801
--- /dev/null
+++ b/src/mesa_pd/collision_detection/BroadPhase.h
@@ -0,0 +1,45 @@
+//======================================================================================================================
+//
+// This file is part of waLBerla. waLBerla is free software: you can
+// redistribute it and/or modify it under the terms of the GNU General Public
+// License as published by the Free Software Foundation, either version 3 of
+// the License, or (at your option) any later version.
+//
+// waLBerla is distributed in the hope that it will be useful, but WITHOUT
+// ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
+// FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License
+// for more details.
+//
+// You should have received a copy of the GNU General Public License along
+// with waLBerla (see COPYING.txt). If not, see <http://www.gnu.org/licenses/>.
+//
+//! \file BroadPhase.h
+//! \author Sebastian Eibl <sebastian.eibl@fau.de>
+//
+//======================================================================================================================
+
+#pragma once
+
+namespace walberla {
+namespace mesa_pd {
+namespace collision_detection {
+
+/**
+ * Checks if particle idx1 is within interaction distance with particle idx2.
+ * Collisions of infinite particles are also filtered.
+ */
+template <typename Accessor>
+bool isInInteractionDistance(const size_t idx1, const size_t idx2, Accessor& ac)
+{
+ using namespace data::particle_flags;
+ if (isSet(ac.getFlags(idx1), INFINITE)) return true;
+ if (isSet(ac.getFlags(idx2), INFINITE)) return true;
+ auto separationDist = ac.getInteractionRadius(idx1) + ac.getInteractionRadius(idx2);
+ auto realDist2 = (ac.getPosition(idx1) - ac.getPosition(idx2)).sqrLength();
+ if (realDist2 < separationDist*separationDist) return true;
+ return false;
+}
+
+} //namespace collision_detection
+} //namespace mesa_pd
+} //namespace walberla
diff --git a/src/mesa_pd/common/AABBConversion.h b/src/mesa_pd/common/AABBConversion.h
new file mode 100644
index 000000000..ade72f356
--- /dev/null
+++ b/src/mesa_pd/common/AABBConversion.h
@@ -0,0 +1,60 @@
+//======================================================================================================================
+//
+// This file is part of waLBerla. waLBerla is free software: you can
+// redistribute it and/or modify it under the terms of the GNU General Public
+// License as published by the Free Software Foundation, either version 3 of
+// the License, or (at your option) any later version.
+//
+// waLBerla is distributed in the hope that it will be useful, but WITHOUT
+// ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
+// FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License
+// for more details.
+//
+// You should have received a copy of the GNU General Public License along
+// with waLBerla (see COPYING.txt). If not, see <http://www.gnu.org/licenses/>.
+//
+//! \file AABBConversion.h
+//! \author Christoph Rettinger <christoph.rettinger@fau.de>
+//
+//======================================================================================================================
+
+#pragma once
+
+#include <core/math/AABB.h>
+#include <mesa_pd/data/DataTypes.h>
+#include <mesa_pd/data/Flags.h>
+#include <mesa_pd/data/IAccessor.h>
+
+#include <limits>
+
+namespace walberla {
+namespace mesa_pd {
+
+math::AABB getAABBFromInteractionRadius(const Vector3<real_t> & pos, const real_t interactionRadius )
+{
+ return math::AABB( pos[0]-interactionRadius, pos[1]-interactionRadius, pos[2]-interactionRadius,
+ pos[0]+interactionRadius, pos[1]+interactionRadius, pos[2]+interactionRadius );
+}
+
+
+// requires: interactionRadius
+// flags: infinite
+template<typename ParticleAccessor_T>
+math::AABB getParticleAABB(const size_t particleIdx, const ParticleAccessor_T& ac)
+{
+ static_assert(std::is_base_of<mesa_pd::data::IAccessor, ParticleAccessor_T>::value, "Provide a valid accessor as template");
+
+ if( mesa_pd::data::particle_flags::isSet( ac.getFlags(particleIdx), mesa_pd::data::particle_flags::INFINITE) )
+ {
+ auto inf = std::numeric_limits<real_t>::infinity();
+ return math::AABB( -inf, -inf, -inf,
+ inf, inf, inf);
+ }
+ else
+ {
+ return getAABBFromInteractionRadius(ac.getPosition(particleIdx), ac.getInteractionRadius(particleIdx));
+ }
+}
+
+} //namespace mesa_pd
+} //namespace walberla
diff --git a/src/mesa_pd/common/Contains.h b/src/mesa_pd/common/Contains.h
new file mode 100644
index 000000000..0e98ed9c4
--- /dev/null
+++ b/src/mesa_pd/common/Contains.h
@@ -0,0 +1,78 @@
+//======================================================================================================================
+//
+// This file is part of waLBerla. waLBerla is free software: you can
+// redistribute it and/or modify it under the terms of the GNU General Public
+// License as published by the Free Software Foundation, either version 3 of
+// the License, or (at your option) any later version.
+//
+// waLBerla is distributed in the hope that it will be useful, but WITHOUT
+// ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
+// FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License
+// for more details.
+//
+// You should have received a copy of the GNU General Public License along
+// with waLBerla (see COPYING.txt). If not, see <http://www.gnu.org/licenses/>.
+//
+//! \file Contains.h
+//! \author Christoph Rettinger <christoph.rettinger@fau.de>
+//
+//======================================================================================================================
+
+#pragma once
+
+#include <mesa_pd/data/DataTypes.h>
+#include <mesa_pd/data/Flags.h>
+#include <mesa_pd/data/IAccessor.h>
+#include <mesa_pd/data/shape/HalfSpace.h>
+#include <mesa_pd/data/shape/Sphere.h>
+
+namespace walberla {
+namespace mesa_pd {
+
+/*
+ * contains functionality
+ */
+
+bool isPointInsideSphere(const Vector3<real_t>& point,
+ const Vector3<real_t>& spherePosition, const real_t sphereRadius )
+{
+ return !((point - spherePosition).sqrLength() > sphereRadius * sphereRadius);
+}
+
+bool isPointInsideHalfSpace(const Vector3<real_t>& point,
+ const Vector3<real_t>& halfSpacePosition, const Vector3<real_t>& halfSpaceNormal, const math::Matrix3<real_t>& halfSpaceRotationMatrix )
+{
+ return !(halfSpaceRotationMatrix.getTranspose() * (point - halfSpacePosition) * halfSpaceNormal > real_t(0));
+}
+
+//TODO add ellipsoids
+
+struct ContainsPointFunctor
+{
+ template<typename ParticleAccessor_T, typename Shape_T>
+ bool operator()(const size_t /*particleIdx*/, const Shape_T& /*shape*/, const ParticleAccessor_T& /*ac*/, const Vector3<real_t>& /*point*/ )
+ {
+ WALBERLA_ABORT("ContainsPoint not implemented!");
+ }
+
+ template<typename ParticleAccessor_T>
+ bool operator()(const size_t particleIdx, const mesa_pd::data::Sphere& sphere, const ParticleAccessor_T& ac, const Vector3<real_t>& point )
+ {
+ static_assert(std::is_base_of<mesa_pd::data::IAccessor, ParticleAccessor_T>::value, "Provide a valid accessor as template");
+
+ return isPointInsideSphere(point, ac.getPosition(particleIdx), sphere.getRadius() );
+ }
+
+ template<typename ParticleAccessor_T>
+ bool operator()(const size_t particleIdx, const mesa_pd::data::HalfSpace& halfSpace, const ParticleAccessor_T& ac, const Vector3<real_t>& point )
+ {
+ static_assert(std::is_base_of<mesa_pd::data::IAccessor, ParticleAccessor_T>::value, "Provide a valid accessor as template");
+
+ return isPointInsideHalfSpace(point, ac.getPosition(particleIdx), halfSpace.getNormal(), ac.getRotation(particleIdx).getMatrix() );
+ }
+
+};
+
+
+} //namespace mesa_pd
+} //namespace walberla
diff --git a/src/mesa_pd/common/ParticleFunctions.h b/src/mesa_pd/common/ParticleFunctions.h
new file mode 100644
index 000000000..195dec2c7
--- /dev/null
+++ b/src/mesa_pd/common/ParticleFunctions.h
@@ -0,0 +1,96 @@
+//======================================================================================================================
+//
+// This file is part of waLBerla. waLBerla is free software: you can
+// redistribute it and/or modify it under the terms of the GNU General Public
+// License as published by the Free Software Foundation, either version 3 of
+// the License, or (at your option) any later version.
+//
+// waLBerla is distributed in the hope that it will be useful, but WITHOUT
+// ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
+// FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License
+// for more details.
+//
+// You should have received a copy of the GNU General Public License along
+// with waLBerla (see COPYING.txt). If not, see <http://www.gnu.org/licenses/>.
+//
+//! \file ParticleFunctions.h
+//! \author Sebastian Eibl <sebastian.eibl@fau.de>
+//
+//======================================================================================================================
+
+#pragma once
+
+#include <mesa_pd/data/DataTypes.h>
+#include <mesa_pd/domain/IDomain.h>
+
+#include <core/logging/Logging.h>
+#include <core/mpi/MPIManager.h>
+
+namespace walberla {
+namespace mesa_pd {
+
+/**
+ * Returns the "surface" velocity at a certain point given in world frame coordinates.
+ */
+template <typename Accessor>
+inline Vec3 getVelocityAtWFPoint(const size_t p_idx, Accessor& ac, const Vec3& wf_pt)
+{
+ return ac.getLinearVelocity(p_idx) + cross(ac.getAngularVelocity(p_idx), ( wf_pt - ac.getPosition(p_idx) ));
+}
+
+/**
+ * Force is applied at the center of mass.
+ */
+template <typename Accessor>
+inline void addForceAtomic(const size_t p_idx, Accessor& ac, const Vec3& f)
+{
+ // Increasing the force and torque on this particle
+#ifdef _OPENMP
+#pragma omp atomic
+#endif
+ ac.getForceRef(p_idx)[0] += f[0];
+#ifdef _OPENMP
+#pragma omp atomic
+#endif
+ ac.getForceRef(p_idx)[1] += f[1];
+#ifdef _OPENMP
+#pragma omp atomic
+#endif
+ ac.getForceRef(p_idx)[2] += f[2];
+}
+
+template <typename Accessor>
+inline void addForceAtWFPosAtomic(const size_t p_idx, Accessor& ac, const Vec3& f, const Vec3& wf_pt)
+{
+ // Increasing the force and torque on this particle
+#ifdef _OPENMP
+#pragma omp atomic
+#endif
+ ac.getForceRef(p_idx)[0] += f[0];
+#ifdef _OPENMP
+#pragma omp atomic
+#endif
+ ac.getForceRef(p_idx)[1] += f[1];
+#ifdef _OPENMP
+#pragma omp atomic
+#endif
+ ac.getForceRef(p_idx)[2] += f[2];
+
+ const auto t = cross(( wf_pt - ac.getPosition(p_idx) ), f);
+
+#ifdef _OPENMP
+#pragma omp atomic
+#endif
+ ac.getTorqueRef(p_idx)[0] += t[0];
+#ifdef _OPENMP
+#pragma omp atomic
+#endif
+ ac.getTorqueRef(p_idx)[1] += t[1];
+#ifdef _OPENMP
+#pragma omp atomic
+#endif
+ ac.getTorqueRef(p_idx)[2] += t[2];
+}
+
+} //namespace mesa_pd
+} //namespace walberla
diff --git a/src/mesa_pd/common/RayParticleIntersection.h b/src/mesa_pd/common/RayParticleIntersection.h
new file mode 100644
index 000000000..ce4b273df
--- /dev/null
+++ b/src/mesa_pd/common/RayParticleIntersection.h
@@ -0,0 +1,152 @@
+//======================================================================================================================
+//
+// This file is part of waLBerla. waLBerla is free software: you can
+// redistribute it and/or modify it under the terms of the GNU General Public
+// License as published by the Free Software Foundation, either version 3 of
+// the License, or (at your option) any later version.
+//
+// waLBerla is distributed in the hope that it will be useful, but WITHOUT
+// ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
+// FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License
+// for more details.
+//
+// You should have received a copy of the GNU General Public License along
+// with waLBerla (see COPYING.txt). If not, see <http://www.gnu.org/licenses/>.
+//
+//! \file RayParticleIntersection.h
+//! \author Christoph Rettinger <christoph.rettinger@fau.de>
+//
+//======================================================================================================================
+
+#pragma once
+
+#include <mesa_pd/common/Contains.h>
+#include <mesa_pd/data/DataTypes.h>
+#include <mesa_pd/data/Flags.h>
+#include <mesa_pd/data/IAccessor.h>
+#include <mesa_pd/data/shape/HalfSpace.h>
+#include <mesa_pd/data/shape/Sphere.h>
+#include <mesa_pd/kernel/SingleCast.h>
+
+namespace walberla {
+namespace mesa_pd {
+
+/*
+ * ray - particle intersection ratio functionality
+ */
+
+real_t raySphereIntersectionRatio( const Vector3<real_t> & rayOrigin, const Vector3<real_t> & rayDirection,
+ const Vector3<real_t> & spherePosition, const real_t sphereRadius )
+{
+ WALBERLA_ASSERT( !isPointInsideSphere(rayOrigin, spherePosition, sphereRadius ), "rayOrigin: " << rayOrigin );
+ WALBERLA_ASSERT( isPointInsideSphere(rayOrigin + rayDirection, spherePosition, sphereRadius ), "rayOrigin + rayDirection: " << rayOrigin + rayDirection );
+
+ // get the physical sphere center
+
+ real_t dirLength = rayDirection.length();
+ Vector3< real_t > l = spherePosition - rayOrigin;
+ real_t s = l * rayDirection / dirLength;
+ real_t lsqr = l.sqrLength();
+ real_t msqr = lsqr - s * s;
+ real_t rsqr = real_c( sphereRadius * sphereRadius );
+ real_t q = std::sqrt( rsqr - msqr );
+ real_t delta = ( lsqr > rsqr ) ? s - q : s + q;
+ delta /= dirLength;
+
+ WALBERLA_ASSERT_GREATER_EQUAL( delta, real_t( 0 ) );
+ WALBERLA_ASSERT_LESS_EQUAL( delta, real_t( 1 ) );
+
+ return delta;
+}
+
+real_t rayHalfSpaceIntersectionRatio( const Vector3<real_t> & rayOrigin, const Vector3<real_t> & rayDirection,
+ const Vector3<real_t> & halfSpacePosition, const Vector3<real_t> & halfSpaceNormal, const math::Matrix3<real_t>& halfSpaceRotationMatrix)
+{
+ WALBERLA_ASSERT( !isPointInsideHalfSpace( rayOrigin, halfSpacePosition, halfSpaceNormal, halfSpaceRotationMatrix ), "rayOrigin: " << rayOrigin );
+ WALBERLA_ASSERT( isPointInsideHalfSpace( rayOrigin + rayDirection, halfSpacePosition, halfSpaceNormal, halfSpaceRotationMatrix ), "rayOrigin + rayDirection: " << rayOrigin + rayDirection );
+
+ const Vector3<real_t> planeNormal( halfSpaceRotationMatrix * halfSpaceNormal );
+
+ real_t denom = planeNormal * rayDirection;
+
+ auto diff = halfSpacePosition - rayOrigin;
+
+ WALBERLA_ASSERT_FLOAT_UNEQUAL(denom, real_t(0));
+
+ real_t delta = diff * planeNormal / denom;
+
+ WALBERLA_ASSERT_GREATER_EQUAL( delta, real_t( 0 ) );
+ WALBERLA_ASSERT_LESS_EQUAL( delta, real_t( 1 ) );
+
+ return delta;
+}
+
+//TODO add ellipsoids from pe_coupling/geometry/PeIntersectionRatio.cpp
+
+template <typename ParticleAccessor_T>
+real_t intersectionRatioBisection( const size_t particleIdx, const ParticleAccessor_T& ac,
+ const Vector3<real_t>& rayOrigin, const Vector3<real_t>& rayDirection,
+ real_t epsilon)
+{
+ mesa_pd::kernel::SingleCast singleCast;
+ ContainsPointFunctor containsPointFctr;
+
+ WALBERLA_ASSERT( !singleCast(particleIdx, ac, containsPointFctr, ac, rayOrigin), "rayOrigin: " << rayOrigin );
+ WALBERLA_ASSERT( singleCast(particleIdx, ac, containsPointFctr, ac, rayOrigin + rayDirection), "rayOrigin + rayDirection: " << rayOrigin + rayDirection );
+
+ const real_t sqEpsilon = epsilon * epsilon;
+ const real_t sqDirectionLength = rayDirection.sqrLength();
+
+ real_t q( 0.5 );
+ real_t qDelta( 0.5 );
+
+ while( qDelta * qDelta * sqDirectionLength >= sqEpsilon )
+ {
+ qDelta *= real_t( 0.5 );
+ Vector3<real_t> p = rayOrigin + q * rayDirection;
+ if( singleCast(particleIdx, ac, containsPointFctr, ac, p) )
+ {
+ q -= qDelta;
+ }
+ else
+ {
+ q += qDelta;
+ }
+ }
+
+ WALBERLA_ASSERT_GREATER_EQUAL( q, real_t( 0 ) );
+ WALBERLA_ASSERT_LESS_EQUAL( q, real_t( 1 ) );
+
+ return q;
+}
+
+struct RayParticleIntersectionRatioFunctor
+{
+ template<typename ParticleAccessor_T, typename Shape_T>
+ real_t operator()(const size_t particleIdx, const Shape_T& /*shape*/, const ParticleAccessor_T& ac, const Vector3<real_t>& rayOrigin, const Vector3<real_t>& rayDirection, real_t epsilon )
+ {
+ static_assert(std::is_base_of<mesa_pd::data::IAccessor, ParticleAccessor_T>::value, "Provide a valid accessor as template");
+
+ return intersectionRatioBisection(particleIdx, ac, rayOrigin, rayDirection, epsilon );
+ }
+
+ template<typename ParticleAccessor_T>
+ real_t operator()(const size_t particleIdx, const mesa_pd::data::Sphere& sphere, const ParticleAccessor_T& ac, const Vector3<real_t>& rayOrigin, const Vector3<real_t>& rayDirection, real_t /*epsilon*/ )
+ {
+ static_assert(std::is_base_of<mesa_pd::data::IAccessor, ParticleAccessor_T>::value, "Provide a valid accessor as template");
+
+ return raySphereIntersectionRatio(rayOrigin, rayDirection, ac.getPosition(particleIdx), sphere.getRadius() );
+ }
+
+ template<typename ParticleAccessor_T>
+ real_t operator()(const size_t particleIdx, const mesa_pd::data::HalfSpace& halfSpace, const ParticleAccessor_T& ac, const Vector3<real_t>& rayOrigin, const Vector3<real_t>& rayDirection, real_t /*epsilon*/ )
+ {
+ static_assert(std::is_base_of<mesa_pd::data::IAccessor, ParticleAccessor_T>::value, "Provide a valid accessor as template");
+
+ return rayHalfSpaceIntersectionRatio(rayOrigin, rayDirection, ac.getPosition(particleIdx), halfSpace.getNormal(), ac.getRotation(particleIdx).getMatrix() );
+ }
+
+};
+
+} //namespace mesa_pd
+} //namespace walberla
diff --git a/src/mesa_pd/data/ContactHistory.h b/src/mesa_pd/data/ContactHistory.h
new file mode 100644
index 000000000..2e8712209
--- /dev/null
+++ b/src/mesa_pd/data/ContactHistory.h
@@ -0,0 +1,113 @@
+//======================================================================================================================
+//
+// This file is part of waLBerla. waLBerla is free software: you can
+// redistribute it and/or modify it under the terms of the GNU General Public
+// License as published by the Free Software Foundation, either version 3 of
+// the License, or (at your option) any later version.
+//
+// waLBerla is distributed in the hope that it will be useful, but WITHOUT
+// ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
+// FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License
+// for more details.
+//
+// You should have received a copy of the GNU General Public License along
+// with waLBerla (see COPYING.txt). If not, see <http://www.gnu.org/licenses/>.
+//
+//! \file ContactHistory.h
+//! \author Sebastian Eibl <sebastian.eibl@fau.de>
+//
+//======================================================================================================================
+
+//======================================================================================================================
+//
+// THIS FILE IS GENERATED - PLEASE CHANGE THE TEMPLATE !!!
+//
+//======================================================================================================================
+
+#pragma once
+
+#include <mesa_pd/data/DataTypes.h>
+#include <mesa_pd/data/STLOverloads.h>
+
+#include <core/Abort.h>
+#include <core/debug/Debug.h>
+#include <core/math/AABB.h>
+#include <core/mpi/Datatype.h>
+#include <core/mpi/RecvBuffer.h>
+#include <core/mpi/SendBuffer.h>
+#include <core/STLIO.h>
+
+#include <vector>
+
+namespace walberla {
+namespace mesa_pd {
+namespace data {
+
+class ContactHistory
+{
+public:
+ const walberla::mesa_pd::Vec3& getTangentialSpringDisplacement() const {return tangentialSpringDisplacement_;}
+ walberla::mesa_pd::Vec3& getTangentialSpringDisplacementRef() {return tangentialSpringDisplacement_;}
+ void setTangentialSpringDisplacement(const walberla::mesa_pd::Vec3& v) { tangentialSpringDisplacement_ = v;}
+
+ const bool& getIsSticking() const {return isSticking_;}
+ bool& getIsStickingRef() {return isSticking_;}
+ void setIsSticking(const bool& v) { isSticking_ = v;}
+
+ const real_t& getImpactVelocityMagnitude() const {return impactVelocityMagnitude_;}
+ real_t& getImpactVelocityMagnitudeRef() {return impactVelocityMagnitude_;}
+ void setImpactVelocityMagnitude(const real_t& v) { impactVelocityMagnitude_ = v;}
+
+private:
+ walberla::mesa_pd::Vec3 tangentialSpringDisplacement_ {};
+ bool isSticking_ {};
+ real_t impactVelocityMagnitude_ {};
+};
+
+inline
+std::ostream& operator<<( std::ostream& os, const ContactHistory& ch )
+{
+ os << "========== Contact History ==========" << "\n" <<
+ "tangentialSpringDisplacement: " << ch.getTangentialSpringDisplacement() << "\n" <<
+ "isSticking : " << ch.getIsSticking() << "\n" <<
+ "impactVelocityMagnitude: " << ch.getImpactVelocityMagnitude() << "\n" <<
+ "================================" << std::endl;
+ return os;
+}
+
+} //namespace data
+} //namespace mesa_pd
+} //namespace walberla
+
+//======================================================================================================================
+//
+// Send/Recv Buffer Serialization Specialization
+//
+//======================================================================================================================
+
+namespace walberla {
+namespace mpi {
+
+template< typename T, // Element type of SendBuffer
+ typename G> // Growth policy of SendBuffer
+mpi::GenericSendBuffer<T,G>& operator<<( mpi::GenericSendBuffer<T,G> & buf, const mesa_pd::data::ContactHistory& obj )
+{
+ buf.addDebugMarker( "ch" );
+ buf << obj.getTangentialSpringDisplacement();
+ buf << obj.getIsSticking();
+ buf << obj.getImpactVelocityMagnitude();
+ return buf;
+}
+
+template< typename T> // Element type of RecvBuffer
+mpi::GenericRecvBuffer<T>& operator>>( mpi::GenericRecvBuffer<T> & buf, mesa_pd::data::ContactHistory& objparam )
+{
+ buf.readDebugMarker( "ch" );
+ buf >> objparam.getTangentialSpringDisplacementRef();
+ buf >> objparam.getIsStickingRef();
+ buf >> objparam.getImpactVelocityMagnitudeRef();
+ return buf;
+}
+
+} // mpi
+} // walberla
\ No newline at end of file
diff --git a/src/mesa_pd/data/DataTypes.h b/src/mesa_pd/data/DataTypes.h
new file mode 100644
index 000000000..0ab8e22b3
--- /dev/null
+++ b/src/mesa_pd/data/DataTypes.h
@@ -0,0 +1,40 @@
+//======================================================================================================================
+//
+// This file is part of waLBerla. waLBerla is free software: you can
+// redistribute it and/or modify it under the terms of the GNU General Public
+// License as published by the Free Software Foundation, either version 3 of
+// the License, or (at your option) any later version.
+//
+// waLBerla is distributed in the hope that it will be useful, but WITHOUT
+// ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
+// FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License
+// for more details.
+//
+// You should have received a copy of the GNU General Public License along
+// with waLBerla (see COPYING.txt). If not, see <http://www.gnu.org/licenses/>.
+//
+//! \file DataTypes.h
+//! \author Sebastian Eibl <sebastian.eibl@fau.de>
+//
+//======================================================================================================================
+
+#pragma once
+
+#include <core/DataTypes.h>
+#include <core/math/Matrix3.h>
+#include <core/math/Quaternion.h>
+#include <core/math/Rot3.h>
+#include <core/math/Vector3.h>
+
+#include <mesa_pd/data/Flags.h>
+
+namespace walberla {
+namespace mesa_pd {
+
+using Mat3 = math::Matrix3<real_t>;
+using Rot3 = math::Rot3<real_t>;
+using Quat = math::Quaternion<real_t>;
+using Vec3 = math::Vector3<real_t>;
+
+}
+}
diff --git a/src/mesa_pd/data/Flags.h b/src/mesa_pd/data/Flags.h
new file mode 100644
index 000000000..14d1593c2
--- /dev/null
+++ b/src/mesa_pd/data/Flags.h
@@ -0,0 +1,116 @@
+//======================================================================================================================
+//
+// This file is part of waLBerla. waLBerla is free software: you can
+// redistribute it and/or modify it under the terms of the GNU General Public
+// License as published by the Free Software Foundation, either version 3 of
+// the License, or (at your option) any later version.
+//
+// waLBerla is distributed in the hope that it will be useful, but WITHOUT
+// ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
+// FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License
+// for more details.
+//
+// You should have received a copy of the GNU General Public License along
+// with waLBerla (see COPYING.txt). If not, see <http://www.gnu.org/licenses/>.
+//
+//! \file Flags.h
+//! \author Sebastian Eibl <sebastian.eibl@fau.de>
+//
+//======================================================================================================================
+
+#pragma once
+
+#include <mesa_pd/data/DataTypes.h>
+
+#include <ostream>
+
+namespace walberla {
+namespace mesa_pd {
+namespace data {
+
+namespace particle_flags {
+
+class FlagT
+{
+public:
+ using value_type = uint8_t;
+
+ value_type& getRawDataRef() {return flags_;}
+ const value_type& getRawDataRef() const {return flags_;}
+private:
+ value_type flags_ = 0;
+};
+
+/// default value after initialization
+static const FlagT::value_type NO_FLAGS = 0;
+/// the particle extends into at least one direction till infinity
+static const FlagT::value_type INFINITE = (1 << 1);
+/// spatial integrators will skip this particle, however, forces and torques are reset
+static const FlagT::value_type FIXED = (1 << 2);
+/// all communication functions are skipped for this particle
+static const FlagT::value_type NON_COMMUNICATING = (1 << 3);
+/// this is a ghost particle
+static const FlagT::value_type GHOST = (1 << 4);
+/// this particle exists on all processes with the same uid
+static const FlagT::value_type GLOBAL = (1 << 5);
+
+inline void set(FlagT& flags, const FlagT::value_type flag)
+{
+ flags.getRawDataRef() |= flag;
+}
+
+inline void unset(FlagT& flags, const FlagT::value_type flag)
+{
+ flags.getRawDataRef() &= static_cast<FlagT::value_type>(~flag);
+}
+
+inline bool isSet(const FlagT& flags, const FlagT::value_type flag)
+{
+ return (flags.getRawDataRef() & flag) != 0;
+}
+
+inline std::ostream& operator<<( std::ostream& os, const FlagT& flags )
+{
+ os << flags.getRawDataRef();
+ return os;
+}
+
+} //namespace particle_flags
+} //namespace data
+} //namespace mesa_pd
+} //namespace walberla
+
+//======================================================================================================================
+//
+// Send/Recv Buffer Serialization Specialization
+//
+//======================================================================================================================
+
+namespace walberla {
+namespace mpi {
+
+template< typename T, // Element type of SendBuffer
+ typename G> // Growth policy of SendBuffer
+mpi::GenericSendBuffer<T,G>& operator<<( mpi::GenericSendBuffer<T,G> & buf, const walberla::mesa_pd::data::particle_flags::FlagT& flags )
+{
+ buf.addDebugMarker( "fl" );
+ buf << flags.getRawDataRef();
+ return buf;
+}
+
+template< typename T> // Element type of RecvBuffer
+mpi::GenericRecvBuffer<T>& operator>>( mpi::GenericRecvBuffer<T> & buf, walberla::mesa_pd::data::particle_flags::FlagT& flags )
+{
+ buf.readDebugMarker( "fl" );
+ buf >> flags.getRawDataRef();
+ return buf;
+}
+
+template<> // value type
+struct BufferSizeTrait< walberla::mesa_pd::data::particle_flags::FlagT > {
+ static const bool constantSize = true;
+ static const uint_t size = sizeof(walberla::mesa_pd::data::particle_flags::FlagT::value_type) + mpi::BUFFER_DEBUG_OVERHEAD;
+};
+
+} // mpi
+} // walberla
diff --git a/src/mesa_pd/data/IAccessor.h b/src/mesa_pd/data/IAccessor.h
new file mode 100644
index 000000000..2db039769
--- /dev/null
+++ b/src/mesa_pd/data/IAccessor.h
@@ -0,0 +1,48 @@
+//======================================================================================================================
+//
+// This file is part of waLBerla. waLBerla is free software: you can
+// redistribute it and/or modify it under the terms of the GNU General Public
+// License as published by the Free Software Foundation, either version 3 of
+// the License, or (at your option) any later version.
+//
+// waLBerla is distributed in the hope that it will be useful, but WITHOUT
+// ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
+// FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License
+// for more details.
+//
+// You should have received a copy of the GNU General Public License along
+// with waLBerla (see COPYING.txt). If not, see <http://www.gnu.org/licenses/>.
+//
+//! \file IAccessor.h
+//! \author Sebastian Eibl <sebastian.eibl@fau.de>
+//
+//======================================================================================================================
+
+#pragma once
+
+#include <core/DataTypes.h>
+
+#include <typeinfo>
+#include <type_traits>
+
+namespace walberla {
+namespace mesa_pd {
+namespace data {
+
+/**
+ * @brief Add this as a base class to identify your class as a accessor.
+ *
+ * Accessors passed via templated arguments might be checked like
+ * \code
+ * static_assert(std::is_base_of<IAccessor, X>::value, typeid(X).name() + " is not a accessor");
+ * \endcode
+ */
+class IAccessor
+{
+public:
+ virtual ~IAccessor() = default;
+};
+
+} //namespace data
+} //namespace mesa_pd
+} //namespace walberla
diff --git a/src/mesa_pd/data/LinkedCells.h b/src/mesa_pd/data/LinkedCells.h
new file mode 100644
index 000000000..cdcec8172
--- /dev/null
+++ b/src/mesa_pd/data/LinkedCells.h
@@ -0,0 +1,359 @@
+//======================================================================================================================
+//
+// This file is part of waLBerla. waLBerla is free software: you can
+// redistribute it and/or modify it under the terms of the GNU General Public
+// License as published by the Free Software Foundation, either version 3 of
+// the License, or (at your option) any later version.
+//
+// waLBerla is distributed in the hope that it will be useful, but WITHOUT
+// ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
+// FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License
+// for more details.
+//
+// You should have received a copy of the GNU General Public License along
+// with waLBerla (see COPYING.txt). If not, see <http://www.gnu.org/licenses/>.
+//
+//! \file LinkedCells.h
+//! \author Sebastian Eibl <sebastian.eibl@fau.de>
+//
+//======================================================================================================================
+
+//======================================================================================================================
+//
+// THIS FILE IS GENERATED - PLEASE CHANGE THE TEMPLATE !!!
+//
+//======================================================================================================================
+
+#pragma once
+
+#include <mesa_pd/data/DataTypes.h>
+#include <mesa_pd/data/IAccessor.h>
+#include <mesa_pd/data/ParticleStorage.h>
+
+#include <core/Abort.h>
+#include <core/debug/Debug.h>
+#include <core/math/AABB.h>
+#include <stencil/D3Q27.h>
+
+#include <atomic>
+#include <cmath>
+#include <vector>
+
+namespace walberla {
+namespace mesa_pd {
+namespace data {
+
+struct LinkedCells
+{
+ LinkedCells(const math::AABB& domain, const real_t cellDiameter) : LinkedCells(domain, Vec3(cellDiameter,cellDiameter,cellDiameter)) {}
+ LinkedCells(const math::AABB& domain, const Vec3& cellDiameter);
+
+ void clear();
+
+ /**
+ * Calls the provided functor \p func for all particle pairs.
+ *
+ * Additional arguments can be provided. No pairs with twice the same particle.
+ * Call syntax for the provided functor
+ * \code
+ * func( *this, i, j, std::forward<Args>(args)... );
+ * \endcode
+ * \param openmp enables/disables OpenMP parallelization of the kernel call
+ */
+ template <typename Selector, typename Accessor, typename Func, typename... Args>
+ void forEachParticlePair(const bool openmp,
+ const Selector& selector,
+ Accessor& acForLC,
+ Func&& func,
+ Args&&... args) const;
+ /**
+ * Calls the provided functor \p func for all particle pairs.
+ *
+ * Additional arguments can be provided. No pairs with twice the same particle are generated.
+ * No pair is called twice!
+ * Call syntax for the provided functor
+ * \code
+ * func( *this, i, j, std::forward<Args>(args)... );
+ * \endcode
+ * \param openmp enables/disables OpenMP parallelization of the kernel call
+ */
+ template <typename Selector, typename Accessor, typename Func, typename... Args>
+ void forEachParticlePairHalf(const bool openmp,
+ const Selector& selector,
+ Accessor& acForLC,
+ Func&& func,
+ Args&&... args) const;
+
+ math::AABB domain_ {};
+ Vector3<int> numCellsPerDim_ {};
+ Vec3 cellDiameter_ {};
+ Vec3 invCellDiameter_ {};
+ std::atomic<int> infiniteParticles_ {};
+ std::vector< std::atomic<int> > cells_ {};
+};
+
+inline
+math::AABB getCellAABB(const LinkedCells& ll, const int hash0, const int hash1, const int hash2)
+{
+ WALBERLA_ASSERT_GREATER_EQUAL(hash0, 0);
+ WALBERLA_ASSERT_LESS(hash0, ll.numCellsPerDim_[0]);
+ WALBERLA_ASSERT_GREATER_EQUAL(hash1, 0);
+ WALBERLA_ASSERT_LESS(hash1, ll.numCellsPerDim_[1]);
+ WALBERLA_ASSERT_GREATER_EQUAL(hash2, 0);
+ WALBERLA_ASSERT_LESS(hash2, ll.numCellsPerDim_[2]);
+ const auto& minCorner = ll.domain_.minCorner();
+ const real_t xMin = ll.cellDiameter_[0] * real_c(hash0) + minCorner[0];
+ const real_t yMin = ll.cellDiameter_[1] * real_c(hash1) + minCorner[1];
+ const real_t zMin = ll.cellDiameter_[2] * real_c(hash2) + minCorner[2];
+ const real_t xMax = ll.cellDiameter_[0] * real_c(hash0 + 1) + minCorner[0];
+ const real_t yMax = ll.cellDiameter_[1] * real_c(hash1 + 1) + minCorner[1];
+ const real_t zMax = ll.cellDiameter_[2] * real_c(hash2 + 1) + minCorner[2];
+ return math::AABB(xMin, yMin, zMin, xMax, yMax, zMax);
+}
+
+inline
+int getCellIdx(const LinkedCells& ll, const int hash0, const int hash1, const int hash2)
+{
+ WALBERLA_ASSERT_GREATER_EQUAL(hash0, 0);
+ WALBERLA_ASSERT_LESS(hash0, ll.numCellsPerDim_[0]);
+ WALBERLA_ASSERT_GREATER_EQUAL(hash1, 0);
+ WALBERLA_ASSERT_LESS(hash1, ll.numCellsPerDim_[1]);
+ WALBERLA_ASSERT_GREATER_EQUAL(hash2, 0);
+ WALBERLA_ASSERT_LESS(hash2, ll.numCellsPerDim_[2]);
+ return hash2 * ll.numCellsPerDim_[1] * ll.numCellsPerDim_[0] + hash1 * ll.numCellsPerDim_[0] + hash0;
+}
+
+inline
+LinkedCells::LinkedCells(const math::AABB& domain, const Vec3& cellDiameter)
+ : domain_(domain)
+ , numCellsPerDim_( static_cast<int>(std::ceil( domain.sizes()[0] / cellDiameter[0])),
+ static_cast<int>(std::ceil( domain.sizes()[1] / cellDiameter[1])),
+ static_cast<int>(std::ceil( domain.sizes()[2] / cellDiameter[2])) )
+ , cellDiameter_( domain.sizes()[0] / real_c(numCellsPerDim_[0]),
+ domain.sizes()[1] / real_c(numCellsPerDim_[1]),
+ domain.sizes()[2] / real_c(numCellsPerDim_[2]) )
+ , invCellDiameter_( real_t(1) / cellDiameter_[0], real_t(1) / cellDiameter_[1], real_t(1) / cellDiameter_[2] )
+ , cells_(uint_c(numCellsPerDim_[0]*numCellsPerDim_[1]*numCellsPerDim_[2]))
+{
+ //precondition
+ WALBERLA_CHECK_GREATER_EQUAL(cellDiameter[0], real_t(0));
+ WALBERLA_CHECK_GREATER_EQUAL(cellDiameter[1], real_t(0));
+ WALBERLA_CHECK_GREATER_EQUAL(cellDiameter[2], real_t(0));
+
+ //postcondition
+ WALBERLA_CHECK_GREATER_EQUAL(cellDiameter_[0], real_t(0));
+ WALBERLA_CHECK_LESS_EQUAL(cellDiameter_[0], cellDiameter[0]);
+
+ WALBERLA_CHECK_GREATER_EQUAL(numCellsPerDim_[0], 0);
+ WALBERLA_CHECK_GREATER_EQUAL(cellDiameter_[1], real_t(0));
+ WALBERLA_CHECK_LESS_EQUAL(cellDiameter_[1], cellDiameter[1]);
+
+ WALBERLA_CHECK_GREATER_EQUAL(numCellsPerDim_[1], 0);
+ WALBERLA_CHECK_GREATER_EQUAL(cellDiameter_[2], real_t(0));
+ WALBERLA_CHECK_LESS_EQUAL(cellDiameter_[2], cellDiameter[2]);
+
+ WALBERLA_CHECK_GREATER_EQUAL(numCellsPerDim_[2], 0);
+}
+
+void LinkedCells::clear()
+{
+ const uint64_t cellsSize = cells_.size();
+ //clear existing linked cells
+ #ifdef _OPENMP
+ #pragma omp parallel for schedule(static)
+ #endif
+ for (int64_t i = 0; i < int64_c(cellsSize); ++i)
+ cells_[uint64_c(i)] = -1;
+ infiniteParticles_ = -1;
+}
+template <typename Selector, typename Accessor, typename Func, typename... Args>
+inline void LinkedCells::forEachParticlePair(const bool openmp, const Selector& selector, Accessor& acForLC, Func&& func, Args&&... args) const
+{
+ static_assert(std::is_base_of<data::IAccessor, Accessor>::value, "please provide a valid accessor");
+ WALBERLA_UNUSED(openmp);
+#ifdef _OPENMP
+#pragma omp parallel for schedule(static) if (openmp)
+#endif
+ for (int z = 0; z < numCellsPerDim_[2]; ++z)
+ {
+ for (int y = 0; y < numCellsPerDim_[1]; ++y)
+ {
+ for (int x = 0; x < numCellsPerDim_[0]; ++x)
+ {
+ const int cell_idx = getCellIdx(*this, x, y, z); ///< current cell index
+ int p_idx = cells_[uint_c(cell_idx)]; ///< current particle index
+ int np_idx = -1; ///< particle to be checked against
+
+ while (p_idx != -1)
+ {
+ WALBERLA_ASSERT_GREATER_EQUAL(p_idx, 0);
+ WALBERLA_ASSERT_LESS(p_idx, acForLC.size());
+
+ // check particles in own cell
+ np_idx = acForLC.getNextParticle(uint_c(p_idx)); ///< neighbor particle index
+ while (np_idx != -1)
+ {
+ WALBERLA_ASSERT_GREATER_EQUAL(np_idx, 0);
+ WALBERLA_ASSERT_LESS(np_idx, acForLC.size());
+
+ if (selector(uint_c(p_idx), uint_c(np_idx), acForLC))
+ {
+ func(uint_c(p_idx), uint_c(np_idx), std::forward<Args>(args)...);
+ func(uint_c(np_idx), uint_c(p_idx), std::forward<Args>(args)...);
+ }
+
+ np_idx = acForLC.getNextParticle(uint_c(np_idx));
+ }
+
+ // check particles in neighboring cells (only positive ones)
+ for (auto dir : stencil::D3Q27::dir_pos)
+ {
+ const int nx = x + stencil::cx[dir];
+ const int ny = y + stencil::cy[dir];
+ const int nz = z + stencil::cz[dir];
+ if (nx < 0) continue;
+ if (ny < 0) continue;
+ if (nz < 0) continue;
+ if (nx >= numCellsPerDim_[0]) continue;
+ if (ny >= numCellsPerDim_[1]) continue;
+ if (nz >= numCellsPerDim_[2]) continue;
+
+ const int ncell_idx = getCellIdx(*this, nx, ny, nz); ///< neighbor cell index
+
+ WALBERLA_ASSERT_GREATER_EQUAL(p_idx, 0);
+ WALBERLA_ASSERT_LESS(p_idx, acForLC.size());
+ np_idx = cells_[uint_c(ncell_idx)]; ///< neighbor particle index
+ while (np_idx != -1)
+ {
+ WALBERLA_ASSERT_GREATER_EQUAL(np_idx, 0);
+ WALBERLA_ASSERT_LESS(np_idx, acForLC.size());
+
+ if (selector(uint_c(p_idx), uint_c(np_idx), acForLC))
+ {
+ func(uint_c(p_idx), uint_c(np_idx), std::forward<Args>(args)...);
+ func(uint_c(np_idx), uint_c(p_idx), std::forward<Args>(args)...);
+ }
+
+ np_idx = acForLC.getNextParticle(uint_c(np_idx));
+ }
+ }
+
+ // check particles in infiniteParticles list
+ np_idx = infiniteParticles_; ///< neighbor particle index
+ while (np_idx != -1)
+ {
+ WALBERLA_ASSERT_GREATER_EQUAL(np_idx, 0);
+ WALBERLA_ASSERT_LESS(np_idx, acForLC.size());
+
+ if (selector(uint_c(p_idx), uint_c(np_idx), acForLC))
+ {
+ func(uint_c(p_idx), uint_c(np_idx), std::forward<Args>(args)...);
+ func(uint_c(np_idx), uint_c(p_idx), std::forward<Args>(args)...);
+ }
+
+ np_idx = acForLC.getNextParticle(uint_c(np_idx));
+ }
+
+ // go to next particle
+ p_idx = acForLC.getNextParticle(uint_c(p_idx));
+ }
+ }
+ }
+ }
+}
+template <typename Selector, typename Accessor, typename Func, typename... Args>
+inline void LinkedCells::forEachParticlePairHalf(const bool openmp, const Selector& selector, Accessor& acForLC, Func&& func, Args&&... args) const
+{
+ static_assert(std::is_base_of<data::IAccessor, Accessor>::value, "please provide a valid accessor");
+ WALBERLA_UNUSED(openmp);
+#ifdef _OPENMP
+#pragma omp parallel for schedule(static) if (openmp)
+#endif
+ for (int z = 0; z < numCellsPerDim_[2]; ++z)
+ {
+ for (int y = 0; y < numCellsPerDim_[1]; ++y)
+ {
+ for (int x = 0; x < numCellsPerDim_[0]; ++x)
+ {
+ const int cell_idx = getCellIdx(*this, x, y, z); ///< current cell index
+ int p_idx = cells_[uint_c(cell_idx)]; ///< current particle index
+ int np_idx = -1; ///< particle to be checked against
+
+ while (p_idx != -1)
+ {
+ WALBERLA_ASSERT_GREATER_EQUAL(p_idx, 0);
+ WALBERLA_ASSERT_LESS(p_idx, acForLC.size());
+
+ // check particles in own cell
+ np_idx = acForLC.getNextParticle(uint_c(p_idx)); ///< neighbor particle index
+ while (np_idx != -1)
+ {
+ WALBERLA_ASSERT_GREATER_EQUAL(np_idx, 0);
+ WALBERLA_ASSERT_LESS(np_idx, acForLC.size());
+
+ if (selector(uint_c(p_idx), uint_c(np_idx), acForLC))
+ {
+ func(uint_c(p_idx), uint_c(np_idx), std::forward<Args>(args)...);
+ }
+
+ np_idx = acForLC.getNextParticle(uint_c(np_idx));
+ }
+
+ // check particles in neighboring cells (only positive ones)
+ for (auto dir : stencil::D3Q27::dir_pos)
+ {
+ const int nx = x + stencil::cx[dir];
+ const int ny = y + stencil::cy[dir];
+ const int nz = z + stencil::cz[dir];
+ if (nx < 0) continue;
+ if (ny < 0) continue;
+ if (nz < 0) continue;
+ if (nx >= numCellsPerDim_[0]) continue;
+ if (ny >= numCellsPerDim_[1]) continue;
+ if (nz >= numCellsPerDim_[2]) continue;
+
+ const int ncell_idx = getCellIdx(*this, nx, ny, nz); ///< neighbor cell index
+
+ WALBERLA_ASSERT_GREATER_EQUAL(p_idx, 0);
+ WALBERLA_ASSERT_LESS(p_idx, acForLC.size());
+ np_idx = cells_[uint_c(ncell_idx)]; ///< neighbor particle index
+ while (np_idx != -1)
+ {
+ WALBERLA_ASSERT_GREATER_EQUAL(np_idx, 0);
+ WALBERLA_ASSERT_LESS(np_idx, acForLC.size());
+
+ if (selector(uint_c(p_idx), uint_c(np_idx), acForLC))
+ {
+ func(uint_c(p_idx), uint_c(np_idx), std::forward<Args>(args)...);
+ }
+
+ np_idx = acForLC.getNextParticle(uint_c(np_idx));
+ }
+ }
+
+ // check particles in infiniteParticles list
+ np_idx = infiniteParticles_; ///< neighbor particle index
+ while (np_idx != -1)
+ {
+ WALBERLA_ASSERT_GREATER_EQUAL(np_idx, 0);
+ WALBERLA_ASSERT_LESS(np_idx, acForLC.size());
+
+ if (selector(uint_c(p_idx), uint_c(np_idx), acForLC))
+ {
+ func(uint_c(p_idx), uint_c(np_idx), std::forward<Args>(args)...);
+ }
+
+ np_idx = acForLC.getNextParticle(uint_c(np_idx));
+ }
+
+ // go to next particle
+ p_idx = acForLC.getNextParticle(uint_c(p_idx));
+ }
+ }
+ }
+ }
+}
+
+} //namespace data
+} //namespace mesa_pd
+} //namespace walberla
\ No newline at end of file
diff --git a/src/mesa_pd/data/ParticleAccessor.h b/src/mesa_pd/data/ParticleAccessor.h
new file mode 100644
index 000000000..978ab9609
--- /dev/null
+++ b/src/mesa_pd/data/ParticleAccessor.h
@@ -0,0 +1,300 @@
+//======================================================================================================================
+//
+// This file is part of waLBerla. waLBerla is free software: you can
+// redistribute it and/or modify it under the terms of the GNU General Public
+// License as published by the Free Software Foundation, either version 3 of
+// the License, or (at your option) any later version.
+//
+// waLBerla is distributed in the hope that it will be useful, but WITHOUT
+// ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
+// FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License
+// for more details.
+//
+// You should have received a copy of the GNU General Public License along
+// with waLBerla (see COPYING.txt). If not, see <http://www.gnu.org/licenses/>.
+//
+//! \file ParticleAccessor.h
+//! \author Sebastian Eibl <sebastian.eibl@fau.de>
+//
+//======================================================================================================================
+
+//======================================================================================================================
+//
+// THIS FILE IS GENERATED - PLEASE CHANGE THE TEMPLATE !!!
+//
+//======================================================================================================================
+
+#pragma once
+
+#include <mesa_pd/data/IAccessor.h>
+#include <mesa_pd/data/ParticleStorage.h>
+
+#include <core/UniqueID.h>
+
+#include <limits>
+
+namespace walberla {
+namespace mesa_pd {
+namespace data {
+
+/**
+ * @brief Basic ParticleAccessor for the ParticleStorage
+ *
+ * Provides get, set and getRef for all members of the ParticleStorage.
+ * Can be used as a basis class for a more advanced ParticleAccessor.
+ */
+class ParticleAccessor : public IAccessor
+{
+public:
+ ParticleAccessor(const std::shared_ptr<data::ParticleStorage>& ps) : ps_(ps) {}
+ virtual ~ParticleAccessor() = default;
+ const walberla::id_t& getUid(const size_t p_idx) const {return ps_->getUid(p_idx);}
+ walberla::id_t& getUidRef(const size_t p_idx) {return ps_->getUidRef(p_idx);}
+ void setUid(const size_t p_idx, const walberla::id_t& v) { ps_->setUid(p_idx, v);}
+
+ const walberla::mesa_pd::Vec3& getPosition(const size_t p_idx) const {return ps_->getPosition(p_idx);}
+ walberla::mesa_pd::Vec3& getPositionRef(const size_t p_idx) {return ps_->getPositionRef(p_idx);}
+ void setPosition(const size_t p_idx, const walberla::mesa_pd::Vec3& v) { ps_->setPosition(p_idx, v);}
+
+ const walberla::real_t& getInteractionRadius(const size_t p_idx) const {return ps_->getInteractionRadius(p_idx);}
+ walberla::real_t& getInteractionRadiusRef(const size_t p_idx) {return ps_->getInteractionRadiusRef(p_idx);}
+ void setInteractionRadius(const size_t p_idx, const walberla::real_t& v) { ps_->setInteractionRadius(p_idx, v);}
+
+ const walberla::mesa_pd::data::particle_flags::FlagT& getFlags(const size_t p_idx) const {return ps_->getFlags(p_idx);}
+ walberla::mesa_pd::data::particle_flags::FlagT& getFlagsRef(const size_t p_idx) {return ps_->getFlagsRef(p_idx);}
+ void setFlags(const size_t p_idx, const walberla::mesa_pd::data::particle_flags::FlagT& v) { ps_->setFlags(p_idx, v);}
+
+ const int& getOwner(const size_t p_idx) const {return ps_->getOwner(p_idx);}
+ int& getOwnerRef(const size_t p_idx) {return ps_->getOwnerRef(p_idx);}
+ void setOwner(const size_t p_idx, const int& v) { ps_->setOwner(p_idx, v);}
+
+ const std::vector<int>& getGhostOwners(const size_t p_idx) const {return ps_->getGhostOwners(p_idx);}
+ std::vector<int>& getGhostOwnersRef(const size_t p_idx) {return ps_->getGhostOwnersRef(p_idx);}
+ void setGhostOwners(const size_t p_idx, const std::vector<int>& v) { ps_->setGhostOwners(p_idx, v);}
+
+ const size_t& getShapeID(const size_t p_idx) const {return ps_->getShapeID(p_idx);}
+ size_t& getShapeIDRef(const size_t p_idx) {return ps_->getShapeIDRef(p_idx);}
+ void setShapeID(const size_t p_idx, const size_t& v) { ps_->setShapeID(p_idx, v);}
+
+ const walberla::mesa_pd::Rot3& getRotation(const size_t p_idx) const {return ps_->getRotation(p_idx);}
+ walberla::mesa_pd::Rot3& getRotationRef(const size_t p_idx) {return ps_->getRotationRef(p_idx);}
+ void setRotation(const size_t p_idx, const walberla::mesa_pd::Rot3& v) { ps_->setRotation(p_idx, v);}
+
+ const walberla::mesa_pd::Vec3& getAngularVelocity(const size_t p_idx) const {return ps_->getAngularVelocity(p_idx);}
+ walberla::mesa_pd::Vec3& getAngularVelocityRef(const size_t p_idx) {return ps_->getAngularVelocityRef(p_idx);}
+ void setAngularVelocity(const size_t p_idx, const walberla::mesa_pd::Vec3& v) { ps_->setAngularVelocity(p_idx, v);}
+
+ const walberla::mesa_pd::Vec3& getTorque(const size_t p_idx) const {return ps_->getTorque(p_idx);}
+ walberla::mesa_pd::Vec3& getTorqueRef(const size_t p_idx) {return ps_->getTorqueRef(p_idx);}
+ void setTorque(const size_t p_idx, const walberla::mesa_pd::Vec3& v) { ps_->setTorque(p_idx, v);}
+
+ const walberla::mesa_pd::Vec3& getLinearVelocity(const size_t p_idx) const {return ps_->getLinearVelocity(p_idx);}
+ walberla::mesa_pd::Vec3& getLinearVelocityRef(const size_t p_idx) {return ps_->getLinearVelocityRef(p_idx);}
+ void setLinearVelocity(const size_t p_idx, const walberla::mesa_pd::Vec3& v) { ps_->setLinearVelocity(p_idx, v);}
+
+ const walberla::real_t& getInvMass(const size_t p_idx) const {return ps_->getInvMass(p_idx);}
+ walberla::real_t& getInvMassRef(const size_t p_idx) {return ps_->getInvMassRef(p_idx);}
+ void setInvMass(const size_t p_idx, const walberla::real_t& v) { ps_->setInvMass(p_idx, v);}
+
+ const walberla::mesa_pd::Vec3& getForce(const size_t p_idx) const {return ps_->getForce(p_idx);}
+ walberla::mesa_pd::Vec3& getForceRef(const size_t p_idx) {return ps_->getForceRef(p_idx);}
+ void setForce(const size_t p_idx, const walberla::mesa_pd::Vec3& v) { ps_->setForce(p_idx, v);}
+
+ const walberla::mesa_pd::Vec3& getOldForce(const size_t p_idx) const {return ps_->getOldForce(p_idx);}
+ walberla::mesa_pd::Vec3& getOldForceRef(const size_t p_idx) {return ps_->getOldForceRef(p_idx);}
+ void setOldForce(const size_t p_idx, const walberla::mesa_pd::Vec3& v) { ps_->setOldForce(p_idx, v);}
+
+ const walberla::mesa_pd::Vec3& getOldTorque(const size_t p_idx) const {return ps_->getOldTorque(p_idx);}
+ walberla::mesa_pd::Vec3& getOldTorqueRef(const size_t p_idx) {return ps_->getOldTorqueRef(p_idx);}
+ void setOldTorque(const size_t p_idx, const walberla::mesa_pd::Vec3& v) { ps_->setOldTorque(p_idx, v);}
+
+ const uint_t& getType(const size_t p_idx) const {return ps_->getType(p_idx);}
+ uint_t& getTypeRef(const size_t p_idx) {return ps_->getTypeRef(p_idx);}
+ void setType(const size_t p_idx, const uint_t& v) { ps_->setType(p_idx, v);}
+
+ const int& getNextParticle(const size_t p_idx) const {return ps_->getNextParticle(p_idx);}
+ int& getNextParticleRef(const size_t p_idx) {return ps_->getNextParticleRef(p_idx);}
+ void setNextParticle(const size_t p_idx, const int& v) { ps_->setNextParticle(p_idx, v);}
+
+ const std::map<walberla::id_t, walberla::mesa_pd::data::ContactHistory>& getOldContactHistory(const size_t p_idx) const {return ps_->getOldContactHistory(p_idx);}
+ std::map<walberla::id_t, walberla::mesa_pd::data::ContactHistory>& getOldContactHistoryRef(const size_t p_idx) {return ps_->getOldContactHistoryRef(p_idx);}
+ void setOldContactHistory(const size_t p_idx, const std::map<walberla::id_t, walberla::mesa_pd::data::ContactHistory>& v) { ps_->setOldContactHistory(p_idx, v);}
+
+ const std::map<walberla::id_t, walberla::mesa_pd::data::ContactHistory>& getNewContactHistory(const size_t p_idx) const {return ps_->getNewContactHistory(p_idx);}
+ std::map<walberla::id_t, walberla::mesa_pd::data::ContactHistory>& getNewContactHistoryRef(const size_t p_idx) {return ps_->getNewContactHistoryRef(p_idx);}
+ void setNewContactHistory(const size_t p_idx, const std::map<walberla::id_t, walberla::mesa_pd::data::ContactHistory>& v) { ps_->setNewContactHistory(p_idx, v);}
+
+ const walberla::real_t& getTemperature(const size_t p_idx) const {return ps_->getTemperature(p_idx);}
+ walberla::real_t& getTemperatureRef(const size_t p_idx) {return ps_->getTemperatureRef(p_idx);}
+ void setTemperature(const size_t p_idx, const walberla::real_t& v) { ps_->setTemperature(p_idx, v);}
+
+ const walberla::real_t& getHeatFlux(const size_t p_idx) const {return ps_->getHeatFlux(p_idx);}
+ walberla::real_t& getHeatFluxRef(const size_t p_idx) {return ps_->getHeatFluxRef(p_idx);}
+ void setHeatFlux(const size_t p_idx, const walberla::real_t& v) { ps_->setHeatFlux(p_idx, v);}
+
+
+ id_t getInvalidUid() const {return UniqueID<data::Particle>::invalidID();}
+ size_t getInvalidIdx() const {return std::numeric_limits<size_t>::max();}
+ /**
+ * @brief Returns the index of particle specified by uid.
+ * @param uid unique id of the particle to be looked up
+ * @return the index of the particle or std::numeric_limits<size_t>::max() if the particle is not found
+ */
+ size_t uidToIdx(const id_t& uid) const {auto it = ps_->find(uid); return it != ps_->end() ? it.getIdx() : std::numeric_limits<size_t>::max();}
+ size_t size() const { return ps_->size(); }
+
+ inline size_t create(const id_t& uid);
+ inline size_t erase(const size_t& idx);
+ inline size_t find(const id_t& uid);
+protected:
+ std::shared_ptr<data::ParticleStorage> ps_;
+};
+
+inline size_t ParticleAccessor::create(const id_t& uid)
+{
+ auto it = ps_->create(uid);
+ return it.getIdx();
+}
+inline size_t ParticleAccessor::erase(const size_t& idx)
+{
+ data::ParticleStorage::iterator it(ps_.get(), idx);
+ it = ps_->erase(it);
+ return it.getIdx();
+}
+inline size_t ParticleAccessor::find(const id_t& uid)
+{
+ auto it = ps_->find(uid);
+ return it.getIdx();
+}
+
+/**
+ * @brief Basic ParticleAccessor which emulates a single particle in a ParticleStorage
+ * without actually needing a ParticleStorage. This class is used mainly for testing purposes.
+ *
+ * Provides get, set and getRef.
+ */
+class SingleParticleAccessor : public IAccessor
+{
+public:
+ virtual ~SingleParticleAccessor() = default;
+ const walberla::id_t& getUid(const size_t /*p_idx*/) const {return uid_;}
+ void setUid(const size_t /*p_idx*/, const walberla::id_t& v) { uid_ = v;}
+ walberla::id_t& getUidRef(const size_t /*p_idx*/) {return uid_;}
+
+ const walberla::mesa_pd::Vec3& getPosition(const size_t /*p_idx*/) const {return position_;}
+ void setPosition(const size_t /*p_idx*/, const walberla::mesa_pd::Vec3& v) { position_ = v;}
+ walberla::mesa_pd::Vec3& getPositionRef(const size_t /*p_idx*/) {return position_;}
+
+ const walberla::real_t& getInteractionRadius(const size_t /*p_idx*/) const {return interactionRadius_;}
+ void setInteractionRadius(const size_t /*p_idx*/, const walberla::real_t& v) { interactionRadius_ = v;}
+ walberla::real_t& getInteractionRadiusRef(const size_t /*p_idx*/) {return interactionRadius_;}
+
+ const walberla::mesa_pd::data::particle_flags::FlagT& getFlags(const size_t /*p_idx*/) const {return flags_;}
+ void setFlags(const size_t /*p_idx*/, const walberla::mesa_pd::data::particle_flags::FlagT& v) { flags_ = v;}
+ walberla::mesa_pd::data::particle_flags::FlagT& getFlagsRef(const size_t /*p_idx*/) {return flags_;}
+
+ const int& getOwner(const size_t /*p_idx*/) const {return owner_;}
+ void setOwner(const size_t /*p_idx*/, const int& v) { owner_ = v;}
+ int& getOwnerRef(const size_t /*p_idx*/) {return owner_;}
+
+ const std::vector<int>& getGhostOwners(const size_t /*p_idx*/) const {return ghostOwners_;}
+ void setGhostOwners(const size_t /*p_idx*/, const std::vector<int>& v) { ghostOwners_ = v;}
+ std::vector<int>& getGhostOwnersRef(const size_t /*p_idx*/) {return ghostOwners_;}
+
+ const size_t& getShapeID(const size_t /*p_idx*/) const {return shapeID_;}
+ void setShapeID(const size_t /*p_idx*/, const size_t& v) { shapeID_ = v;}
+ size_t& getShapeIDRef(const size_t /*p_idx*/) {return shapeID_;}
+
+ const walberla::mesa_pd::Rot3& getRotation(const size_t /*p_idx*/) const {return rotation_;}
+ void setRotation(const size_t /*p_idx*/, const walberla::mesa_pd::Rot3& v) { rotation_ = v;}
+ walberla::mesa_pd::Rot3& getRotationRef(const size_t /*p_idx*/) {return rotation_;}
+
+ const walberla::mesa_pd::Vec3& getAngularVelocity(const size_t /*p_idx*/) const {return angularVelocity_;}
+ void setAngularVelocity(const size_t /*p_idx*/, const walberla::mesa_pd::Vec3& v) { angularVelocity_ = v;}
+ walberla::mesa_pd::Vec3& getAngularVelocityRef(const size_t /*p_idx*/) {return angularVelocity_;}
+
+ const walberla::mesa_pd::Vec3& getTorque(const size_t /*p_idx*/) const {return torque_;}
+ void setTorque(const size_t /*p_idx*/, const walberla::mesa_pd::Vec3& v) { torque_ = v;}
+ walberla::mesa_pd::Vec3& getTorqueRef(const size_t /*p_idx*/) {return torque_;}
+
+ const walberla::mesa_pd::Vec3& getLinearVelocity(const size_t /*p_idx*/) const {return linearVelocity_;}
+ void setLinearVelocity(const size_t /*p_idx*/, const walberla::mesa_pd::Vec3& v) { linearVelocity_ = v;}
+ walberla::mesa_pd::Vec3& getLinearVelocityRef(const size_t /*p_idx*/) {return linearVelocity_;}
+
+ const walberla::real_t& getInvMass(const size_t /*p_idx*/) const {return invMass_;}
+ void setInvMass(const size_t /*p_idx*/, const walberla::real_t& v) { invMass_ = v;}
+ walberla::real_t& getInvMassRef(const size_t /*p_idx*/) {return invMass_;}
+
+ const walberla::mesa_pd::Vec3& getForce(const size_t /*p_idx*/) const {return force_;}
+ void setForce(const size_t /*p_idx*/, const walberla::mesa_pd::Vec3& v) { force_ = v;}
+ walberla::mesa_pd::Vec3& getForceRef(const size_t /*p_idx*/) {return force_;}
+
+ const walberla::mesa_pd::Vec3& getOldForce(const size_t /*p_idx*/) const {return oldForce_;}
+ void setOldForce(const size_t /*p_idx*/, const walberla::mesa_pd::Vec3& v) { oldForce_ = v;}
+ walberla::mesa_pd::Vec3& getOldForceRef(const size_t /*p_idx*/) {return oldForce_;}
+
+ const walberla::mesa_pd::Vec3& getOldTorque(const size_t /*p_idx*/) const {return oldTorque_;}
+ void setOldTorque(const size_t /*p_idx*/, const walberla::mesa_pd::Vec3& v) { oldTorque_ = v;}
+ walberla::mesa_pd::Vec3& getOldTorqueRef(const size_t /*p_idx*/) {return oldTorque_;}
+
+ const uint_t& getType(const size_t /*p_idx*/) const {return type_;}
+ void setType(const size_t /*p_idx*/, const uint_t& v) { type_ = v;}
+ uint_t& getTypeRef(const size_t /*p_idx*/) {return type_;}
+
+ const int& getNextParticle(const size_t /*p_idx*/) const {return nextParticle_;}
+ void setNextParticle(const size_t /*p_idx*/, const int& v) { nextParticle_ = v;}
+ int& getNextParticleRef(const size_t /*p_idx*/) {return nextParticle_;}
+
+ const std::map<walberla::id_t, walberla::mesa_pd::data::ContactHistory>& getOldContactHistory(const size_t /*p_idx*/) const {return oldContactHistory_;}
+ void setOldContactHistory(const size_t /*p_idx*/, const std::map<walberla::id_t, walberla::mesa_pd::data::ContactHistory>& v) { oldContactHistory_ = v;}
+ std::map<walberla::id_t, walberla::mesa_pd::data::ContactHistory>& getOldContactHistoryRef(const size_t /*p_idx*/) {return oldContactHistory_;}
+
+ const std::map<walberla::id_t, walberla::mesa_pd::data::ContactHistory>& getNewContactHistory(const size_t /*p_idx*/) const {return newContactHistory_;}
+ void setNewContactHistory(const size_t /*p_idx*/, const std::map<walberla::id_t, walberla::mesa_pd::data::ContactHistory>& v) { newContactHistory_ = v;}
+ std::map<walberla::id_t, walberla::mesa_pd::data::ContactHistory>& getNewContactHistoryRef(const size_t /*p_idx*/) {return newContactHistory_;}
+
+ const walberla::real_t& getTemperature(const size_t /*p_idx*/) const {return temperature_;}
+ void setTemperature(const size_t /*p_idx*/, const walberla::real_t& v) { temperature_ = v;}
+ walberla::real_t& getTemperatureRef(const size_t /*p_idx*/) {return temperature_;}
+
+ const walberla::real_t& getHeatFlux(const size_t /*p_idx*/) const {return heatFlux_;}
+ void setHeatFlux(const size_t /*p_idx*/, const walberla::real_t& v) { heatFlux_ = v;}
+ walberla::real_t& getHeatFluxRef(const size_t /*p_idx*/) {return heatFlux_;}
+
+
+ id_t getInvalidUid() const {return UniqueID<data::Particle>::invalidID();}
+ size_t getInvalidIdx() const {return std::numeric_limits<size_t>::max();}
+ /**
+ * @brief Returns the index of particle specified by uid.
+ * @param uid unique id of the particle to be looked up
+ * @return the index of the particle or std::numeric_limits<size_t>::max() if the particle is not found
+ */
+ size_t uidToIdx(const id_t& uid) const {return uid == uid_ ? 0 : std::numeric_limits<size_t>::max();}
+ size_t size() const { return 1; }
+private:
+ walberla::id_t uid_;
+ walberla::mesa_pd::Vec3 position_;
+ walberla::real_t interactionRadius_;
+ walberla::mesa_pd::data::particle_flags::FlagT flags_;
+ int owner_;
+ std::vector<int> ghostOwners_;
+ size_t shapeID_;
+ walberla::mesa_pd::Rot3 rotation_;
+ walberla::mesa_pd::Vec3 angularVelocity_;
+ walberla::mesa_pd::Vec3 torque_;
+ walberla::mesa_pd::Vec3 linearVelocity_;
+ walberla::real_t invMass_;
+ walberla::mesa_pd::Vec3 force_;
+ walberla::mesa_pd::Vec3 oldForce_;
+ walberla::mesa_pd::Vec3 oldTorque_;
+ uint_t type_;
+ int nextParticle_;
+ std::map<walberla::id_t, walberla::mesa_pd::data::ContactHistory> oldContactHistory_;
+ std::map<walberla::id_t, walberla::mesa_pd::data::ContactHistory> newContactHistory_;
+ walberla::real_t temperature_;
+ walberla::real_t heatFlux_;
+};
+
+} //namespace data
+} //namespace mesa_pd
+} //namespace walberla
\ No newline at end of file
diff --git a/src/mesa_pd/data/ParticleStorage.h b/src/mesa_pd/data/ParticleStorage.h
new file mode 100644
index 000000000..633563ca6
--- /dev/null
+++ b/src/mesa_pd/data/ParticleStorage.h
@@ -0,0 +1,1071 @@
+//======================================================================================================================
+//
+// This file is part of waLBerla. waLBerla is free software: you can
+// redistribute it and/or modify it under the terms of the GNU General Public
+// License as published by the Free Software Foundation, either version 3 of
+// the License, or (at your option) any later version.
+//
+// waLBerla is distributed in the hope that it will be useful, but WITHOUT
+// ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
+// FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License
+// for more details.
+//
+// You should have received a copy of the GNU General Public License along
+// with waLBerla (see COPYING.txt). If not, see <http://www.gnu.org/licenses/>.
+//
+//! \file ParticleStorage.h
+//! \author Sebastian Eibl <sebastian.eibl@fau.de>
+//
+//======================================================================================================================
+
+//======================================================================================================================
+//
+// THIS FILE IS GENERATED - PLEASE CHANGE THE TEMPLATE !!!
+//
+//======================================================================================================================
+
+#pragma once
+
+#include <atomic>
+#include <limits>
+#include <map>
+#include <type_traits>
+#include <unordered_map>
+#include <vector>
+
+#include <mesa_pd/data/ContactHistory.h>
+#include <mesa_pd/data/DataTypes.h>
+#include <mesa_pd/data/IAccessor.h>
+#include <mesa_pd/data/Flags.h>
+#include <mesa_pd/data/STLOverloads.h>
+
+#include <core/Abort.h>
+#include <core/debug/Debug.h>
+#include <core/math/AABB.h>
+#include <core/OpenMP.h>
+#include <core/STLIO.h>
+#include <core/UniqueID.h>
+
+namespace walberla {
+namespace mesa_pd {
+namespace data {
+
+class ParticleStorage;
+
+class ParticleStorage
+{
+public:
+ class Particle
+ {
+ public:
+ constexpr Particle(ParticleStorage& storage, const size_t i) : storage_(storage), i_(i) {}
+ constexpr Particle(const Particle&) = default;
+ constexpr Particle(Particle&&) = default;
+
+ Particle& operator=(const Particle& rhs);
+ Particle& operator=(Particle&& rhs);
+
+ Particle* operator->(){return this;}
+
+
+ const walberla::id_t& getUid() const {return storage_.getUid(i_);}
+ walberla::id_t& getUidRef() {return storage_.getUidRef(i_);}
+ void setUid(const walberla::id_t& v) { storage_.setUid(i_, v);}
+
+ const walberla::mesa_pd::Vec3& getPosition() const {return storage_.getPosition(i_);}
+ walberla::mesa_pd::Vec3& getPositionRef() {return storage_.getPositionRef(i_);}
+ void setPosition(const walberla::mesa_pd::Vec3& v) { storage_.setPosition(i_, v);}
+
+ const walberla::real_t& getInteractionRadius() const {return storage_.getInteractionRadius(i_);}
+ walberla::real_t& getInteractionRadiusRef() {return storage_.getInteractionRadiusRef(i_);}
+ void setInteractionRadius(const walberla::real_t& v) { storage_.setInteractionRadius(i_, v);}
+
+ const walberla::mesa_pd::data::particle_flags::FlagT& getFlags() const {return storage_.getFlags(i_);}
+ walberla::mesa_pd::data::particle_flags::FlagT& getFlagsRef() {return storage_.getFlagsRef(i_);}
+ void setFlags(const walberla::mesa_pd::data::particle_flags::FlagT& v) { storage_.setFlags(i_, v);}
+
+ const int& getOwner() const {return storage_.getOwner(i_);}
+ int& getOwnerRef() {return storage_.getOwnerRef(i_);}
+ void setOwner(const int& v) { storage_.setOwner(i_, v);}
+
+ const std::vector<int>& getGhostOwners() const {return storage_.getGhostOwners(i_);}
+ std::vector<int>& getGhostOwnersRef() {return storage_.getGhostOwnersRef(i_);}
+ void setGhostOwners(const std::vector<int>& v) { storage_.setGhostOwners(i_, v);}
+
+ const size_t& getShapeID() const {return storage_.getShapeID(i_);}
+ size_t& getShapeIDRef() {return storage_.getShapeIDRef(i_);}
+ void setShapeID(const size_t& v) { storage_.setShapeID(i_, v);}
+
+ const walberla::mesa_pd::Rot3& getRotation() const {return storage_.getRotation(i_);}
+ walberla::mesa_pd::Rot3& getRotationRef() {return storage_.getRotationRef(i_);}
+ void setRotation(const walberla::mesa_pd::Rot3& v) { storage_.setRotation(i_, v);}
+
+ const walberla::mesa_pd::Vec3& getAngularVelocity() const {return storage_.getAngularVelocity(i_);}
+ walberla::mesa_pd::Vec3& getAngularVelocityRef() {return storage_.getAngularVelocityRef(i_);}
+ void setAngularVelocity(const walberla::mesa_pd::Vec3& v) { storage_.setAngularVelocity(i_, v);}
+
+ const walberla::mesa_pd::Vec3& getTorque() const {return storage_.getTorque(i_);}
+ walberla::mesa_pd::Vec3& getTorqueRef() {return storage_.getTorqueRef(i_);}
+ void setTorque(const walberla::mesa_pd::Vec3& v) { storage_.setTorque(i_, v);}
+
+ const walberla::mesa_pd::Vec3& getLinearVelocity() const {return storage_.getLinearVelocity(i_);}
+ walberla::mesa_pd::Vec3& getLinearVelocityRef() {return storage_.getLinearVelocityRef(i_);}
+ void setLinearVelocity(const walberla::mesa_pd::Vec3& v) { storage_.setLinearVelocity(i_, v);}
+
+ const walberla::real_t& getInvMass() const {return storage_.getInvMass(i_);}
+ walberla::real_t& getInvMassRef() {return storage_.getInvMassRef(i_);}
+ void setInvMass(const walberla::real_t& v) { storage_.setInvMass(i_, v);}
+
+ const walberla::mesa_pd::Vec3& getForce() const {return storage_.getForce(i_);}
+ walberla::mesa_pd::Vec3& getForceRef() {return storage_.getForceRef(i_);}
+ void setForce(const walberla::mesa_pd::Vec3& v) { storage_.setForce(i_, v);}
+
+ const walberla::mesa_pd::Vec3& getOldForce() const {return storage_.getOldForce(i_);}
+ walberla::mesa_pd::Vec3& getOldForceRef() {return storage_.getOldForceRef(i_);}
+ void setOldForce(const walberla::mesa_pd::Vec3& v) { storage_.setOldForce(i_, v);}
+
+ const walberla::mesa_pd::Vec3& getOldTorque() const {return storage_.getOldTorque(i_);}
+ walberla::mesa_pd::Vec3& getOldTorqueRef() {return storage_.getOldTorqueRef(i_);}
+ void setOldTorque(const walberla::mesa_pd::Vec3& v) { storage_.setOldTorque(i_, v);}
+
+ const uint_t& getType() const {return storage_.getType(i_);}
+ uint_t& getTypeRef() {return storage_.getTypeRef(i_);}
+ void setType(const uint_t& v) { storage_.setType(i_, v);}
+
+ const int& getNextParticle() const {return storage_.getNextParticle(i_);}
+ int& getNextParticleRef() {return storage_.getNextParticleRef(i_);}
+ void setNextParticle(const int& v) { storage_.setNextParticle(i_, v);}
+
+ const std::map<walberla::id_t, walberla::mesa_pd::data::ContactHistory>& getOldContactHistory() const {return storage_.getOldContactHistory(i_);}
+ std::map<walberla::id_t, walberla::mesa_pd::data::ContactHistory>& getOldContactHistoryRef() {return storage_.getOldContactHistoryRef(i_);}
+ void setOldContactHistory(const std::map<walberla::id_t, walberla::mesa_pd::data::ContactHistory>& v) { storage_.setOldContactHistory(i_, v);}
+
+ const std::map<walberla::id_t, walberla::mesa_pd::data::ContactHistory>& getNewContactHistory() const {return storage_.getNewContactHistory(i_);}
+ std::map<walberla::id_t, walberla::mesa_pd::data::ContactHistory>& getNewContactHistoryRef() {return storage_.getNewContactHistoryRef(i_);}
+ void setNewContactHistory(const std::map<walberla::id_t, walberla::mesa_pd::data::ContactHistory>& v) { storage_.setNewContactHistory(i_, v);}
+
+ const walberla::real_t& getTemperature() const {return storage_.getTemperature(i_);}
+ walberla::real_t& getTemperatureRef() {return storage_.getTemperatureRef(i_);}
+ void setTemperature(const walberla::real_t& v) { storage_.setTemperature(i_, v);}
+
+ const walberla::real_t& getHeatFlux() const {return storage_.getHeatFlux(i_);}
+ walberla::real_t& getHeatFluxRef() {return storage_.getHeatFluxRef(i_);}
+ void setHeatFlux(const walberla::real_t& v) { storage_.setHeatFlux(i_, v);}
+
+
+ size_t getIdx() const {return i_;}
+ public:
+ ParticleStorage& storage_;
+ const size_t i_;
+ };
+
+ class iterator
+ {
+ public:
+ using iterator_category = std::random_access_iterator_tag;
+ using value_type = Particle;
+ using pointer = Particle*;
+ using reference = Particle&;
+ using difference_type = std::ptrdiff_t;
+
+ explicit iterator(ParticleStorage* storage, const size_t i) : storage_(storage), i_(i) {}
+ iterator(const iterator& it) = default;
+ iterator(iterator&& it) = default;
+ iterator& operator=(const iterator&) = default;
+ iterator& operator=(iterator&&) = default;
+
+
+ Particle operator*() const {return Particle{*storage_, i_};}
+ Particle operator->() const {return Particle{*storage_, i_};}
+ iterator& operator++(){ ++i_; return *this; }
+ iterator operator++(int){ iterator tmp(*this); ++(*this); return tmp; }
+ iterator& operator--(){ --i_; return *this; }
+ iterator operator--(int){ iterator tmp(*this); --(*this); return tmp; }
+
+ iterator& operator+=(const size_t n){ i_+=n; return *this; }
+ iterator& operator-=(const size_t n){ i_-=n; return *this; }
+
+ friend iterator operator+(const iterator& it, const size_t n);
+ friend iterator operator+(const size_t n, const iterator& it);
+ friend iterator operator-(const iterator& it, const size_t n);
+ friend difference_type operator-(const iterator& lhs, const iterator& rhs);
+
+ friend bool operator==(const iterator& lhs, const iterator& rhs);
+ friend bool operator!=(const iterator& lhs, const iterator& rhs);
+ friend bool operator<(const iterator& lhs, const iterator& rhs);
+ friend bool operator>(const iterator& lhs, const iterator& rhs);
+ friend bool operator<=(const iterator& lhs, const iterator& rhs);
+ friend bool operator>=(const iterator& lhs, const iterator& rhs);
+
+ friend void swap(iterator& lhs, iterator& rhs);
+
+ size_t getIdx() const {return i_;}
+ private:
+ ParticleStorage* storage_;
+ size_t i_;
+ };
+
+ explicit ParticleStorage(const size_t size);
+
+ iterator begin() { return iterator(this, 0); }
+ iterator end() { return iterator(this, size()); }
+ iterator operator[](const size_t n) { return iterator(this, n); }
+
+
+ const walberla::id_t& getUid(const size_t idx) const {return uid_[idx];}
+ walberla::id_t& getUidRef(const size_t idx) {return uid_[idx];}
+ void setUid(const size_t idx, const walberla::id_t& v) { uid_[idx] = v; }
+
+ const walberla::mesa_pd::Vec3& getPosition(const size_t idx) const {return position_[idx];}
+ walberla::mesa_pd::Vec3& getPositionRef(const size_t idx) {return position_[idx];}
+ void setPosition(const size_t idx, const walberla::mesa_pd::Vec3& v) { position_[idx] = v; }
+
+ const walberla::real_t& getInteractionRadius(const size_t idx) const {return interactionRadius_[idx];}
+ walberla::real_t& getInteractionRadiusRef(const size_t idx) {return interactionRadius_[idx];}
+ void setInteractionRadius(const size_t idx, const walberla::real_t& v) { interactionRadius_[idx] = v; }
+
+ const walberla::mesa_pd::data::particle_flags::FlagT& getFlags(const size_t idx) const {return flags_[idx];}
+ walberla::mesa_pd::data::particle_flags::FlagT& getFlagsRef(const size_t idx) {return flags_[idx];}
+ void setFlags(const size_t idx, const walberla::mesa_pd::data::particle_flags::FlagT& v) { flags_[idx] = v; }
+
+ const int& getOwner(const size_t idx) const {return owner_[idx];}
+ int& getOwnerRef(const size_t idx) {return owner_[idx];}
+ void setOwner(const size_t idx, const int& v) { owner_[idx] = v; }
+
+ const std::vector<int>& getGhostOwners(const size_t idx) const {return ghostOwners_[idx];}
+ std::vector<int>& getGhostOwnersRef(const size_t idx) {return ghostOwners_[idx];}
+ void setGhostOwners(const size_t idx, const std::vector<int>& v) { ghostOwners_[idx] = v; }
+
+ const size_t& getShapeID(const size_t idx) const {return shapeID_[idx];}
+ size_t& getShapeIDRef(const size_t idx) {return shapeID_[idx];}
+ void setShapeID(const size_t idx, const size_t& v) { shapeID_[idx] = v; }
+
+ const walberla::mesa_pd::Rot3& getRotation(const size_t idx) const {return rotation_[idx];}
+ walberla::mesa_pd::Rot3& getRotationRef(const size_t idx) {return rotation_[idx];}
+ void setRotation(const size_t idx, const walberla::mesa_pd::Rot3& v) { rotation_[idx] = v; }
+
+ const walberla::mesa_pd::Vec3& getAngularVelocity(const size_t idx) const {return angularVelocity_[idx];}
+ walberla::mesa_pd::Vec3& getAngularVelocityRef(const size_t idx) {return angularVelocity_[idx];}
+ void setAngularVelocity(const size_t idx, const walberla::mesa_pd::Vec3& v) { angularVelocity_[idx] = v; }
+
+ const walberla::mesa_pd::Vec3& getTorque(const size_t idx) const {return torque_[idx];}
+ walberla::mesa_pd::Vec3& getTorqueRef(const size_t idx) {return torque_[idx];}
+ void setTorque(const size_t idx, const walberla::mesa_pd::Vec3& v) { torque_[idx] = v; }
+
+ const walberla::mesa_pd::Vec3& getLinearVelocity(const size_t idx) const {return linearVelocity_[idx];}
+ walberla::mesa_pd::Vec3& getLinearVelocityRef(const size_t idx) {return linearVelocity_[idx];}
+ void setLinearVelocity(const size_t idx, const walberla::mesa_pd::Vec3& v) { linearVelocity_[idx] = v; }
+
+ const walberla::real_t& getInvMass(const size_t idx) const {return invMass_[idx];}
+ walberla::real_t& getInvMassRef(const size_t idx) {return invMass_[idx];}
+ void setInvMass(const size_t idx, const walberla::real_t& v) { invMass_[idx] = v; }
+
+ const walberla::mesa_pd::Vec3& getForce(const size_t idx) const {return force_[idx];}
+ walberla::mesa_pd::Vec3& getForceRef(const size_t idx) {return force_[idx];}
+ void setForce(const size_t idx, const walberla::mesa_pd::Vec3& v) { force_[idx] = v; }
+
+ const walberla::mesa_pd::Vec3& getOldForce(const size_t idx) const {return oldForce_[idx];}
+ walberla::mesa_pd::Vec3& getOldForceRef(const size_t idx) {return oldForce_[idx];}
+ void setOldForce(const size_t idx, const walberla::mesa_pd::Vec3& v) { oldForce_[idx] = v; }
+
+ const walberla::mesa_pd::Vec3& getOldTorque(const size_t idx) const {return oldTorque_[idx];}
+ walberla::mesa_pd::Vec3& getOldTorqueRef(const size_t idx) {return oldTorque_[idx];}
+ void setOldTorque(const size_t idx, const walberla::mesa_pd::Vec3& v) { oldTorque_[idx] = v; }
+
+ const uint_t& getType(const size_t idx) const {return type_[idx];}
+ uint_t& getTypeRef(const size_t idx) {return type_[idx];}
+ void setType(const size_t idx, const uint_t& v) { type_[idx] = v; }
+
+ const int& getNextParticle(const size_t idx) const {return nextParticle_[idx];}
+ int& getNextParticleRef(const size_t idx) {return nextParticle_[idx];}
+ void setNextParticle(const size_t idx, const int& v) { nextParticle_[idx] = v; }
+
+ const std::map<walberla::id_t, walberla::mesa_pd::data::ContactHistory>& getOldContactHistory(const size_t idx) const {return oldContactHistory_[idx];}
+ std::map<walberla::id_t, walberla::mesa_pd::data::ContactHistory>& getOldContactHistoryRef(const size_t idx) {return oldContactHistory_[idx];}
+ void setOldContactHistory(const size_t idx, const std::map<walberla::id_t, walberla::mesa_pd::data::ContactHistory>& v) { oldContactHistory_[idx] = v; }
+
+ const std::map<walberla::id_t, walberla::mesa_pd::data::ContactHistory>& getNewContactHistory(const size_t idx) const {return newContactHistory_[idx];}
+ std::map<walberla::id_t, walberla::mesa_pd::data::ContactHistory>& getNewContactHistoryRef(const size_t idx) {return newContactHistory_[idx];}
+ void setNewContactHistory(const size_t idx, const std::map<walberla::id_t, walberla::mesa_pd::data::ContactHistory>& v) { newContactHistory_[idx] = v; }
+
+ const walberla::real_t& getTemperature(const size_t idx) const {return temperature_[idx];}
+ walberla::real_t& getTemperatureRef(const size_t idx) {return temperature_[idx];}
+ void setTemperature(const size_t idx, const walberla::real_t& v) { temperature_[idx] = v; }
+
+ const walberla::real_t& getHeatFlux(const size_t idx) const {return heatFlux_[idx];}
+ walberla::real_t& getHeatFluxRef(const size_t idx) {return heatFlux_[idx];}
+ void setHeatFlux(const size_t idx, const walberla::real_t& v) { heatFlux_[idx] = v; }
+
+
+ /**
+ * @brief creates a new particle and returns an iterator pointing to it
+ *
+ * \attention Use this function only if you know what you are doing!
+ * Messing with the uid might break the simulation!
+ * If you are unsure use create(bool) instead.
+ * @param uid unique id of the particle to be created
+ * @return iterator to the newly created particle
+ */
+ inline iterator create(const id_t& uid);
+ inline iterator create(const bool global = false);
+ inline iterator erase(iterator& it);
+ /// Finds the entry corresponding to \p uid.
+ /// \return iterator to the object or end iterator
+ inline iterator find(const id_t& uid);
+ inline void reserve(const size_t size);
+ inline void clear();
+ inline size_t size() const;
+
+ /**
+ * Calls the provided functor \p func for all Particles.
+ *
+ * Additional arguments can be provided.
+ * Call syntax for the provided functor
+ * \code
+ * func( *this, i, std::forward<Args>(args)... );
+ * \endcode
+ * \param openmp enables/disables OpenMP parallelization of the kernel call
+ */
+ template <typename Selector, typename Accessor, typename Func, typename... Args>
+ inline void forEachParticle(const bool openmp,
+ const Selector& selector,
+ Accessor& acForPS,
+ Func&& func,
+ Args&&... args);
+ template <typename Selector, typename Accessor, typename Func, typename... Args>
+ inline void forEachParticle(const bool openmp,
+ const Selector& selector,
+ Accessor& acForPS,
+ Func&& func,
+ Args&&... args) const;
+ /**
+ * Calls the provided functor \p func for all Particle pairs.
+ *
+ * Additional arguments can be provided. No pairs with twice the same Particle.
+ * Call syntax for the provided functor
+ * \code
+ * func( *this, i, j, std::forward<Args>(args)... );
+ * \endcode
+ * \param openmp enables/disables OpenMP parallelization of the kernel call
+ */
+ template <typename Selector, typename Accessor, typename Func, typename... Args>
+ inline void forEachParticlePair(const bool openmp,
+ const Selector& selector,
+ Accessor& acForPS,
+ Func&& func,
+ Args&&... args);
+ template <typename Selector, typename Accessor, typename Func, typename... Args>
+ inline void forEachParticlePair(const bool openmp,
+ const Selector& selector,
+ Accessor& acForPS,
+ Func&& func,
+ Args&&... args) const;
+ /**
+ * Calls the provided functor \p func for all Particle pairs.
+ *
+ * Additional arguments can be provided. No pairs with twice the same Particle.
+ * Index of the first particle i will be always smaller than j! No pair is called twice!
+ * Call syntax for the provided functor
+ * \code
+ * func( *this, i, j, std::forward<Args>(args)... );
+ * \endcode
+ * \param openmp enables/disables OpenMP parallelization of the kernel call
+ */
+ template <typename Selector, typename Accessor, typename Func, typename... Args>
+ inline void forEachParticlePairHalf(const bool openmp,
+ const Selector& selector,
+ Accessor& acForPS,
+ Func&& func,
+ Args&&... args);
+ template <typename Selector, typename Accessor, typename Func, typename... Args>
+ inline void forEachParticlePairHalf(const bool openmp,
+ const Selector& selector,
+ Accessor& acForPS,
+ Func&& func,
+ Args&&... args) const;
+
+ private:
+ std::vector<walberla::id_t> uid_ {};
+ std::vector<walberla::mesa_pd::Vec3> position_ {};
+ std::vector<walberla::real_t> interactionRadius_ {};
+ std::vector<walberla::mesa_pd::data::particle_flags::FlagT> flags_ {};
+ std::vector<int> owner_ {};
+ std::vector<std::vector<int>> ghostOwners_ {};
+ std::vector<size_t> shapeID_ {};
+ std::vector<walberla::mesa_pd::Rot3> rotation_ {};
+ std::vector<walberla::mesa_pd::Vec3> angularVelocity_ {};
+ std::vector<walberla::mesa_pd::Vec3> torque_ {};
+ std::vector<walberla::mesa_pd::Vec3> linearVelocity_ {};
+ std::vector<walberla::real_t> invMass_ {};
+ std::vector<walberla::mesa_pd::Vec3> force_ {};
+ std::vector<walberla::mesa_pd::Vec3> oldForce_ {};
+ std::vector<walberla::mesa_pd::Vec3> oldTorque_ {};
+ std::vector<uint_t> type_ {};
+ std::vector<int> nextParticle_ {};
+ std::vector<std::map<walberla::id_t, walberla::mesa_pd::data::ContactHistory>> oldContactHistory_ {};
+ std::vector<std::map<walberla::id_t, walberla::mesa_pd::data::ContactHistory>> newContactHistory_ {};
+ std::vector<walberla::real_t> temperature_ {};
+ std::vector<walberla::real_t> heatFlux_ {};
+ std::unordered_map<id_t, size_t> uidToIdx_;
+ static_assert(std::is_same<decltype(uid_)::value_type, id_t>::value,
+ "Property uid of type id_t is missing. This property is required!");
+};
+using Particle = ParticleStorage::Particle;
+
+inline
+ParticleStorage::Particle& ParticleStorage::Particle::operator=(const ParticleStorage::Particle& rhs)
+{
+ getUidRef() = rhs.getUid();
+ getPositionRef() = rhs.getPosition();
+ getInteractionRadiusRef() = rhs.getInteractionRadius();
+ getFlagsRef() = rhs.getFlags();
+ getOwnerRef() = rhs.getOwner();
+ getGhostOwnersRef() = rhs.getGhostOwners();
+ getShapeIDRef() = rhs.getShapeID();
+ getRotationRef() = rhs.getRotation();
+ getAngularVelocityRef() = rhs.getAngularVelocity();
+ getTorqueRef() = rhs.getTorque();
+ getLinearVelocityRef() = rhs.getLinearVelocity();
+ getInvMassRef() = rhs.getInvMass();
+ getForceRef() = rhs.getForce();
+ getOldForceRef() = rhs.getOldForce();
+ getOldTorqueRef() = rhs.getOldTorque();
+ getTypeRef() = rhs.getType();
+ getNextParticleRef() = rhs.getNextParticle();
+ getOldContactHistoryRef() = rhs.getOldContactHistory();
+ getNewContactHistoryRef() = rhs.getNewContactHistory();
+ getTemperatureRef() = rhs.getTemperature();
+ getHeatFluxRef() = rhs.getHeatFlux();
+ return *this;
+}
+
+inline
+ParticleStorage::Particle& ParticleStorage::Particle::operator=(ParticleStorage::Particle&& rhs)
+{
+ getUidRef() = std::move(rhs.getUidRef());
+ getPositionRef() = std::move(rhs.getPositionRef());
+ getInteractionRadiusRef() = std::move(rhs.getInteractionRadiusRef());
+ getFlagsRef() = std::move(rhs.getFlagsRef());
+ getOwnerRef() = std::move(rhs.getOwnerRef());
+ getGhostOwnersRef() = std::move(rhs.getGhostOwnersRef());
+ getShapeIDRef() = std::move(rhs.getShapeIDRef());
+ getRotationRef() = std::move(rhs.getRotationRef());
+ getAngularVelocityRef() = std::move(rhs.getAngularVelocityRef());
+ getTorqueRef() = std::move(rhs.getTorqueRef());
+ getLinearVelocityRef() = std::move(rhs.getLinearVelocityRef());
+ getInvMassRef() = std::move(rhs.getInvMassRef());
+ getForceRef() = std::move(rhs.getForceRef());
+ getOldForceRef() = std::move(rhs.getOldForceRef());
+ getOldTorqueRef() = std::move(rhs.getOldTorqueRef());
+ getTypeRef() = std::move(rhs.getTypeRef());
+ getNextParticleRef() = std::move(rhs.getNextParticleRef());
+ getOldContactHistoryRef() = std::move(rhs.getOldContactHistoryRef());
+ getNewContactHistoryRef() = std::move(rhs.getNewContactHistoryRef());
+ getTemperatureRef() = std::move(rhs.getTemperatureRef());
+ getHeatFluxRef() = std::move(rhs.getHeatFluxRef());
+ return *this;
+}
+
+inline
+std::ostream& operator<<( std::ostream& os, const ParticleStorage::Particle& p )
+{
+ os << "========== ==========" << "\n" <<
+ "idx : " << p.getIdx() << "\n" <<
+ "uid : " << p.getUid() << "\n" <<
+ "position : " << p.getPosition() << "\n" <<
+ "interactionRadius : " << p.getInteractionRadius() << "\n" <<
+ "flags : " << p.getFlags() << "\n" <<
+ "owner : " << p.getOwner() << "\n" <<
+ "ghostOwners : " << p.getGhostOwners() << "\n" <<
+ "shapeID : " << p.getShapeID() << "\n" <<
+ "rotation : " << p.getRotation() << "\n" <<
+ "angularVelocity : " << p.getAngularVelocity() << "\n" <<
+ "torque : " << p.getTorque() << "\n" <<
+ "linearVelocity : " << p.getLinearVelocity() << "\n" <<
+ "invMass : " << p.getInvMass() << "\n" <<
+ "force : " << p.getForce() << "\n" <<
+ "oldForce : " << p.getOldForce() << "\n" <<
+ "oldTorque : " << p.getOldTorque() << "\n" <<
+ "type : " << p.getType() << "\n" <<
+ "nextParticle : " << p.getNextParticle() << "\n" <<
+ "oldContactHistory : " << p.getOldContactHistory() << "\n" <<
+ "newContactHistory : " << p.getNewContactHistory() << "\n" <<
+ "temperature : " << p.getTemperature() << "\n" <<
+ "heatFlux : " << p.getHeatFlux() << "\n" <<
+ "================================" << std::endl;
+ return os;
+}
+
+inline
+ParticleStorage::iterator operator+(const ParticleStorage::iterator& it, const size_t n)
+{
+ return ParticleStorage::iterator(it.storage_, it.i_+n);
+}
+
+inline
+ParticleStorage::iterator operator+(const size_t n, const ParticleStorage::iterator& it)
+{
+ return it + n;
+}
+
+inline
+ParticleStorage::iterator operator-(const ParticleStorage::iterator& it, const size_t n)
+{
+ return ParticleStorage::iterator(it.storage_, it.i_-n);
+}
+
+inline
+ParticleStorage::iterator::difference_type operator-(const ParticleStorage::iterator& lhs, const ParticleStorage::iterator& rhs)
+{
+ return int64_c(lhs.i_) - int64_c(rhs.i_);
+}
+
+inline bool operator==(const ParticleStorage::iterator& lhs, const ParticleStorage::iterator& rhs)
+{
+ WALBERLA_ASSERT_EQUAL(lhs.storage_, rhs.storage_);
+ return (lhs.i_ == rhs.i_);
+}
+inline bool operator!=(const ParticleStorage::iterator& lhs, const ParticleStorage::iterator& rhs)
+{
+ WALBERLA_ASSERT_EQUAL(lhs.storage_, rhs.storage_);
+ return (lhs.i_ != rhs.i_);
+}
+inline bool operator<(const ParticleStorage::iterator& lhs, const ParticleStorage::iterator& rhs)
+{
+ WALBERLA_ASSERT_EQUAL(lhs.storage_, rhs.storage_);
+ return (lhs.i_ < rhs.i_);
+}
+inline bool operator>(const ParticleStorage::iterator& lhs, const ParticleStorage::iterator& rhs)
+{
+ WALBERLA_ASSERT_EQUAL(lhs.storage_, rhs.storage_);
+ return (lhs.i_ > rhs.i_);
+}
+inline bool operator<=(const ParticleStorage::iterator& lhs, const ParticleStorage::iterator& rhs)
+{
+ WALBERLA_ASSERT_EQUAL(lhs.storage_, rhs.storage_);
+ return (lhs.i_ <= rhs.i_);
+}
+inline bool operator>=(const ParticleStorage::iterator& lhs, const ParticleStorage::iterator& rhs)
+{
+ WALBERLA_ASSERT_EQUAL(lhs.storage_, rhs.storage_);
+ return (lhs.i_ >= rhs.i_);
+}
+
+inline void swap(ParticleStorage::iterator& lhs, ParticleStorage::iterator& rhs)
+{
+ WALBERLA_ASSERT_EQUAL(lhs.storage_, rhs.storage_);
+ std::swap(lhs.i_, rhs.i_);
+}
+
+inline
+ParticleStorage::ParticleStorage(const size_t size)
+{
+ reserve(size);
+}
+
+
+inline ParticleStorage::iterator ParticleStorage::create(const id_t& uid)
+{
+ WALBERLA_ASSERT_EQUAL(uidToIdx_.find(uid),
+ uidToIdx_.end(),
+ "particle with the same uid(" << uid <<") already existing at index(" << uidToIdx_.find(uid)->second << ")");
+ uid_.emplace_back(UniqueID<data::Particle>::invalidID());
+ position_.emplace_back(real_t(0));
+ interactionRadius_.emplace_back(real_t(0));
+ flags_.emplace_back();
+ owner_.emplace_back(-1);
+ ghostOwners_.emplace_back();
+ shapeID_.emplace_back();
+ rotation_.emplace_back();
+ angularVelocity_.emplace_back(real_t(0));
+ torque_.emplace_back(real_t(0));
+ linearVelocity_.emplace_back(real_t(0));
+ invMass_.emplace_back(real_t(1));
+ force_.emplace_back(real_t(0));
+ oldForce_.emplace_back(real_t(0));
+ oldTorque_.emplace_back(real_t(0));
+ type_.emplace_back(0);
+ nextParticle_.emplace_back(-1);
+ oldContactHistory_.emplace_back();
+ newContactHistory_.emplace_back();
+ temperature_.emplace_back(real_t(0));
+ heatFlux_.emplace_back(real_t(0));
+ uid_.back() = uid;
+ uidToIdx_[uid] = uid_.size() - 1;
+ return iterator(this, size() - 1);
+}
+
+inline ParticleStorage::iterator ParticleStorage::create(const bool global)
+{
+ if (global)
+ {
+ auto it = create(UniqueID<Particle>::createGlobal());
+ data::particle_flags::set(flags_.back(), data::particle_flags::GLOBAL);
+ data::particle_flags::set(flags_.back(), data::particle_flags::NON_COMMUNICATING);
+ return it;
+ } else
+ {
+ return create(UniqueID<Particle>::create());
+ }
+}
+
+inline ParticleStorage::iterator ParticleStorage::erase(iterator& it)
+{
+ //swap with last element and pop
+ auto last = --end();
+ auto numElementsRemoved = uidToIdx_.erase(it->getUid());
+ WALBERLA_CHECK_EQUAL(numElementsRemoved,
+ 1,
+ "Particle with uid " << it->getUid() << " cannot be removed (not existing).");
+ if (it != last) //skip swap if last element is removed
+ {
+ *it = *last;
+ uidToIdx_[it->getUid()] = it.getIdx();
+ }
+ uid_.pop_back();
+ position_.pop_back();
+ interactionRadius_.pop_back();
+ flags_.pop_back();
+ owner_.pop_back();
+ ghostOwners_.pop_back();
+ shapeID_.pop_back();
+ rotation_.pop_back();
+ angularVelocity_.pop_back();
+ torque_.pop_back();
+ linearVelocity_.pop_back();
+ invMass_.pop_back();
+ force_.pop_back();
+ oldForce_.pop_back();
+ oldTorque_.pop_back();
+ type_.pop_back();
+ nextParticle_.pop_back();
+ oldContactHistory_.pop_back();
+ newContactHistory_.pop_back();
+ temperature_.pop_back();
+ heatFlux_.pop_back();
+ return it;
+}
+
+inline ParticleStorage::iterator ParticleStorage::find(const id_t& uid)
+{
+ //linear search through uid vector
+ //auto it = std::find(uid_.begin(), uid_.end(), uid);
+ //if (it == uid_.end()) return end();
+ //return iterator(this, uint_c(std::distance(uid_.begin(), it)));
+
+ //use unordered_map for faster lookup
+ auto it = uidToIdx_.find(uid);
+ if (it == uidToIdx_.end()) return end();
+ WALBERLA_ASSERT_EQUAL(it->first, uid, "Lookup via uidToIdx map is not up to date!!!");
+ return iterator(this, it->second);
+}
+
+inline void ParticleStorage::reserve(const size_t size)
+{
+ uid_.reserve(size);
+ position_.reserve(size);
+ interactionRadius_.reserve(size);
+ flags_.reserve(size);
+ owner_.reserve(size);
+ ghostOwners_.reserve(size);
+ shapeID_.reserve(size);
+ rotation_.reserve(size);
+ angularVelocity_.reserve(size);
+ torque_.reserve(size);
+ linearVelocity_.reserve(size);
+ invMass_.reserve(size);
+ force_.reserve(size);
+ oldForce_.reserve(size);
+ oldTorque_.reserve(size);
+ type_.reserve(size);
+ nextParticle_.reserve(size);
+ oldContactHistory_.reserve(size);
+ newContactHistory_.reserve(size);
+ temperature_.reserve(size);
+ heatFlux_.reserve(size);
+}
+
+inline void ParticleStorage::clear()
+{
+ uid_.clear();
+ position_.clear();
+ interactionRadius_.clear();
+ flags_.clear();
+ owner_.clear();
+ ghostOwners_.clear();
+ shapeID_.clear();
+ rotation_.clear();
+ angularVelocity_.clear();
+ torque_.clear();
+ linearVelocity_.clear();
+ invMass_.clear();
+ force_.clear();
+ oldForce_.clear();
+ oldTorque_.clear();
+ type_.clear();
+ nextParticle_.clear();
+ oldContactHistory_.clear();
+ newContactHistory_.clear();
+ temperature_.clear();
+ heatFlux_.clear();
+ uidToIdx_.clear();
+}
+
+inline size_t ParticleStorage::size() const
+{
+ //WALBERLA_ASSERT_EQUAL( uid_.size(), uid.size() );
+ //WALBERLA_ASSERT_EQUAL( uid_.size(), position.size() );
+ //WALBERLA_ASSERT_EQUAL( uid_.size(), interactionRadius.size() );
+ //WALBERLA_ASSERT_EQUAL( uid_.size(), flags.size() );
+ //WALBERLA_ASSERT_EQUAL( uid_.size(), owner.size() );
+ //WALBERLA_ASSERT_EQUAL( uid_.size(), ghostOwners.size() );
+ //WALBERLA_ASSERT_EQUAL( uid_.size(), shapeID.size() );
+ //WALBERLA_ASSERT_EQUAL( uid_.size(), rotation.size() );
+ //WALBERLA_ASSERT_EQUAL( uid_.size(), angularVelocity.size() );
+ //WALBERLA_ASSERT_EQUAL( uid_.size(), torque.size() );
+ //WALBERLA_ASSERT_EQUAL( uid_.size(), linearVelocity.size() );
+ //WALBERLA_ASSERT_EQUAL( uid_.size(), invMass.size() );
+ //WALBERLA_ASSERT_EQUAL( uid_.size(), force.size() );
+ //WALBERLA_ASSERT_EQUAL( uid_.size(), oldForce.size() );
+ //WALBERLA_ASSERT_EQUAL( uid_.size(), oldTorque.size() );
+ //WALBERLA_ASSERT_EQUAL( uid_.size(), type.size() );
+ //WALBERLA_ASSERT_EQUAL( uid_.size(), nextParticle.size() );
+ //WALBERLA_ASSERT_EQUAL( uid_.size(), oldContactHistory.size() );
+ //WALBERLA_ASSERT_EQUAL( uid_.size(), newContactHistory.size() );
+ //WALBERLA_ASSERT_EQUAL( uid_.size(), temperature.size() );
+ //WALBERLA_ASSERT_EQUAL( uid_.size(), heatFlux.size() );
+ return uid_.size();
+}
+template <typename Selector, typename Accessor, typename Func, typename... Args>
+inline void ParticleStorage::forEachParticle(const bool openmp,
+ const Selector& selector,
+ Accessor& acForPS,
+ Func&& func, Args&&... args)
+{
+ static_assert (std::is_base_of<data::IAccessor, Accessor>::value, "please provide a valid accessor" );
+
+ WALBERLA_UNUSED(openmp);
+ const uint64_t len = size();
+ #ifdef _OPENMP
+ #pragma omp parallel for schedule(static) if (openmp)
+ #endif
+ for (int64_t i = 0; i < int64_c(len); ++i)
+ {
+ if (selector(uint64_c(i), acForPS))
+ func( uint64_c(i), std::forward<Args>(args)... );
+ }
+}
+template <typename Selector, typename Accessor, typename Func, typename... Args>
+inline void ParticleStorage::forEachParticle(const bool openmp,
+ const Selector& selector,
+ Accessor& acForPS,
+ Func&& func, Args&&... args) const
+{
+ static_assert (std::is_base_of<data::IAccessor, Accessor>::value, "please provide a valid accessor" );
+
+ WALBERLA_UNUSED(openmp);
+ const uint64_t len = size();
+ #ifdef _OPENMP
+ #pragma omp parallel for schedule(static) if (openmp)
+ #endif
+ for (int64_t i = 0; i < int64_c(len); ++i)
+ {
+ if (selector(uint64_c(i), acForPS))
+ func( uint64_c(i), std::forward<Args>(args)... );
+ }
+}
+template <typename Selector, typename Accessor, typename Func, typename... Args>
+inline void ParticleStorage::forEachParticlePair(const bool openmp,
+ const Selector& selector,
+ Accessor& acForPS,
+ Func&& func, Args&&... args)
+{
+ static_assert (std::is_base_of<data::IAccessor, Accessor>::value, "please provide a valid accessor" );
+
+ WALBERLA_UNUSED(openmp);
+ const uint64_t len = size();
+ #ifdef _OPENMP
+ #pragma omp parallel for schedule(static) if (openmp)
+ #endif
+ for (int64_t i = 0; i < int64_c(len); ++i)
+ {
+ for (int64_t j = 0; j < int64_c(len); ++j)
+ {
+ if (i!=j)
+ {
+ if (selector(uint64_c(i), uint64_c(j), acForPS))
+ {
+ func( uint64_c(i), uint64_c(j), std::forward<Args>(args)... );
+ }
+ }
+ }
+ }
+}
+template <typename Selector, typename Accessor, typename Func, typename... Args>
+inline void ParticleStorage::forEachParticlePair(const bool openmp,
+ const Selector& selector,
+ Accessor& acForPS,
+ Func&& func, Args&&... args) const
+{
+ static_assert (std::is_base_of<data::IAccessor, Accessor>::value, "please provide a valid accessor" );
+
+ WALBERLA_UNUSED(openmp);
+ const uint64_t len = size();
+ #ifdef _OPENMP
+ #pragma omp parallel for schedule(static) if (openmp)
+ #endif
+ for (int64_t i = 0; i < int64_c(len); ++i)
+ {
+ for (int64_t j = 0; j < int64_c(len); ++j)
+ {
+ if (i!=j)
+ {
+ if (selector(uint64_c(i), uint64_c(j), acForPS))
+ {
+ func( uint64_c(i), uint64_c(j), std::forward<Args>(args)... );
+ }
+ }
+ }
+ }
+}
+template <typename Selector, typename Accessor, typename Func, typename... Args>
+inline void ParticleStorage::forEachParticlePairHalf(const bool openmp,
+ const Selector& selector,
+ Accessor& acForPS,
+ Func&& func, Args&&... args)
+{
+ static_assert (std::is_base_of<data::IAccessor, Accessor>::value, "please provide a valid accessor" );
+
+ WALBERLA_UNUSED(openmp);
+ const uint64_t len = size();
+ #ifdef _OPENMP
+ #pragma omp parallel for schedule(static) if (openmp)
+ #endif
+ for (int64_t i = 0; i < int64_c(len); ++i)
+ {
+ for (int64_t j = i+1; j < int64_c(len); ++j)
+ {
+ if (selector(uint64_c(i), uint64_c(j), acForPS))
+ {
+ func( uint64_c(i), uint64_c(j), std::forward<Args>(args)... );
+ }
+ }
+ }
+}
+template <typename Selector, typename Accessor, typename Func, typename... Args>
+inline void ParticleStorage::forEachParticlePairHalf(const bool openmp,
+ const Selector& selector,
+ Accessor& acForPS,
+ Func&& func, Args&&... args) const
+{
+ static_assert (std::is_base_of<data::IAccessor, Accessor>::value, "please provide a valid accessor" );
+
+ WALBERLA_UNUSED(openmp);
+ const uint64_t len = size();
+ #ifdef _OPENMP
+ #pragma omp parallel for schedule(static) if (openmp)
+ #endif
+ for (int64_t i = 0; i < int64_c(len); ++i)
+ {
+ for (int64_t j = i+1; j < int64_c(len); ++j)
+ {
+ if (selector(uint64_c(i), uint64_c(j), acForPS))
+ {
+ func( uint64_c(i), uint64_c(j), std::forward<Args>(args)... );
+ }
+ }
+ }
+}
+///Predicate that selects a certain property from a Particle
+class SelectParticleUid
+{
+public:
+ using return_type = walberla::id_t;
+ walberla::id_t& operator()(data::Particle& p) const {return p.getUidRef();}
+ walberla::id_t& operator()(data::Particle&& p) const {return p.getUidRef();}
+ const walberla::id_t& operator()(const data::Particle& p) const {return p.getUid();}
+};
+///Predicate that selects a certain property from a Particle
+class SelectParticlePosition
+{
+public:
+ using return_type = walberla::mesa_pd::Vec3;
+ walberla::mesa_pd::Vec3& operator()(data::Particle& p) const {return p.getPositionRef();}
+ walberla::mesa_pd::Vec3& operator()(data::Particle&& p) const {return p.getPositionRef();}
+ const walberla::mesa_pd::Vec3& operator()(const data::Particle& p) const {return p.getPosition();}
+};
+///Predicate that selects a certain property from a Particle
+class SelectParticleInteractionRadius
+{
+public:
+ using return_type = walberla::real_t;
+ walberla::real_t& operator()(data::Particle& p) const {return p.getInteractionRadiusRef();}
+ walberla::real_t& operator()(data::Particle&& p) const {return p.getInteractionRadiusRef();}
+ const walberla::real_t& operator()(const data::Particle& p) const {return p.getInteractionRadius();}
+};
+///Predicate that selects a certain property from a Particle
+class SelectParticleFlags
+{
+public:
+ using return_type = walberla::mesa_pd::data::particle_flags::FlagT;
+ walberla::mesa_pd::data::particle_flags::FlagT& operator()(data::Particle& p) const {return p.getFlagsRef();}
+ walberla::mesa_pd::data::particle_flags::FlagT& operator()(data::Particle&& p) const {return p.getFlagsRef();}
+ const walberla::mesa_pd::data::particle_flags::FlagT& operator()(const data::Particle& p) const {return p.getFlags();}
+};
+///Predicate that selects a certain property from a Particle
+class SelectParticleOwner
+{
+public:
+ using return_type = int;
+ int& operator()(data::Particle& p) const {return p.getOwnerRef();}
+ int& operator()(data::Particle&& p) const {return p.getOwnerRef();}
+ const int& operator()(const data::Particle& p) const {return p.getOwner();}
+};
+///Predicate that selects a certain property from a Particle
+class SelectParticleGhostOwners
+{
+public:
+ using return_type = std::vector<int>;
+ std::vector<int>& operator()(data::Particle& p) const {return p.getGhostOwnersRef();}
+ std::vector<int>& operator()(data::Particle&& p) const {return p.getGhostOwnersRef();}
+ const std::vector<int>& operator()(const data::Particle& p) const {return p.getGhostOwners();}
+};
+///Predicate that selects a certain property from a Particle
+class SelectParticleShapeID
+{
+public:
+ using return_type = size_t;
+ size_t& operator()(data::Particle& p) const {return p.getShapeIDRef();}
+ size_t& operator()(data::Particle&& p) const {return p.getShapeIDRef();}
+ const size_t& operator()(const data::Particle& p) const {return p.getShapeID();}
+};
+///Predicate that selects a certain property from a Particle
+class SelectParticleRotation
+{
+public:
+ using return_type = walberla::mesa_pd::Rot3;
+ walberla::mesa_pd::Rot3& operator()(data::Particle& p) const {return p.getRotationRef();}
+ walberla::mesa_pd::Rot3& operator()(data::Particle&& p) const {return p.getRotationRef();}
+ const walberla::mesa_pd::Rot3& operator()(const data::Particle& p) const {return p.getRotation();}
+};
+///Predicate that selects a certain property from a Particle
+class SelectParticleAngularVelocity
+{
+public:
+ using return_type = walberla::mesa_pd::Vec3;
+ walberla::mesa_pd::Vec3& operator()(data::Particle& p) const {return p.getAngularVelocityRef();}
+ walberla::mesa_pd::Vec3& operator()(data::Particle&& p) const {return p.getAngularVelocityRef();}
+ const walberla::mesa_pd::Vec3& operator()(const data::Particle& p) const {return p.getAngularVelocity();}
+};
+///Predicate that selects a certain property from a Particle
+class SelectParticleTorque
+{
+public:
+ using return_type = walberla::mesa_pd::Vec3;
+ walberla::mesa_pd::Vec3& operator()(data::Particle& p) const {return p.getTorqueRef();}
+ walberla::mesa_pd::Vec3& operator()(data::Particle&& p) const {return p.getTorqueRef();}
+ const walberla::mesa_pd::Vec3& operator()(const data::Particle& p) const {return p.getTorque();}
+};
+///Predicate that selects a certain property from a Particle
+class SelectParticleLinearVelocity
+{
+public:
+ using return_type = walberla::mesa_pd::Vec3;
+ walberla::mesa_pd::Vec3& operator()(data::Particle& p) const {return p.getLinearVelocityRef();}
+ walberla::mesa_pd::Vec3& operator()(data::Particle&& p) const {return p.getLinearVelocityRef();}
+ const walberla::mesa_pd::Vec3& operator()(const data::Particle& p) const {return p.getLinearVelocity();}
+};
+///Predicate that selects a certain property from a Particle
+class SelectParticleInvMass
+{
+public:
+ using return_type = walberla::real_t;
+ walberla::real_t& operator()(data::Particle& p) const {return p.getInvMassRef();}
+ walberla::real_t& operator()(data::Particle&& p) const {return p.getInvMassRef();}
+ const walberla::real_t& operator()(const data::Particle& p) const {return p.getInvMass();}
+};
+///Predicate that selects a certain property from a Particle
+class SelectParticleForce
+{
+public:
+ using return_type = walberla::mesa_pd::Vec3;
+ walberla::mesa_pd::Vec3& operator()(data::Particle& p) const {return p.getForceRef();}
+ walberla::mesa_pd::Vec3& operator()(data::Particle&& p) const {return p.getForceRef();}
+ const walberla::mesa_pd::Vec3& operator()(const data::Particle& p) const {return p.getForce();}
+};
+///Predicate that selects a certain property from a Particle
+class SelectParticleOldForce
+{
+public:
+ using return_type = walberla::mesa_pd::Vec3;
+ walberla::mesa_pd::Vec3& operator()(data::Particle& p) const {return p.getOldForceRef();}
+ walberla::mesa_pd::Vec3& operator()(data::Particle&& p) const {return p.getOldForceRef();}
+ const walberla::mesa_pd::Vec3& operator()(const data::Particle& p) const {return p.getOldForce();}
+};
+///Predicate that selects a certain property from a Particle
+class SelectParticleOldTorque
+{
+public:
+ using return_type = walberla::mesa_pd::Vec3;
+ walberla::mesa_pd::Vec3& operator()(data::Particle& p) const {return p.getOldTorqueRef();}
+ walberla::mesa_pd::Vec3& operator()(data::Particle&& p) const {return p.getOldTorqueRef();}
+ const walberla::mesa_pd::Vec3& operator()(const data::Particle& p) const {return p.getOldTorque();}
+};
+///Predicate that selects a certain property from a Particle
+class SelectParticleType
+{
+public:
+ using return_type = uint_t;
+ uint_t& operator()(data::Particle& p) const {return p.getTypeRef();}
+ uint_t& operator()(data::Particle&& p) const {return p.getTypeRef();}
+ const uint_t& operator()(const data::Particle& p) const {return p.getType();}
+};
+///Predicate that selects a certain property from a Particle
+class SelectParticleNextParticle
+{
+public:
+ using return_type = int;
+ int& operator()(data::Particle& p) const {return p.getNextParticleRef();}
+ int& operator()(data::Particle&& p) const {return p.getNextParticleRef();}
+ const int& operator()(const data::Particle& p) const {return p.getNextParticle();}
+};
+///Predicate that selects a certain property from a Particle
+class SelectParticleOldContactHistory
+{
+public:
+ using return_type = std::map<walberla::id_t, walberla::mesa_pd::data::ContactHistory>;
+ std::map<walberla::id_t, walberla::mesa_pd::data::ContactHistory>& operator()(data::Particle& p) const {return p.getOldContactHistoryRef();}
+ std::map<walberla::id_t, walberla::mesa_pd::data::ContactHistory>& operator()(data::Particle&& p) const {return p.getOldContactHistoryRef();}
+ const std::map<walberla::id_t, walberla::mesa_pd::data::ContactHistory>& operator()(const data::Particle& p) const {return p.getOldContactHistory();}
+};
+///Predicate that selects a certain property from a Particle
+class SelectParticleNewContactHistory
+{
+public:
+ using return_type = std::map<walberla::id_t, walberla::mesa_pd::data::ContactHistory>;
+ std::map<walberla::id_t, walberla::mesa_pd::data::ContactHistory>& operator()(data::Particle& p) const {return p.getNewContactHistoryRef();}
+ std::map<walberla::id_t, walberla::mesa_pd::data::ContactHistory>& operator()(data::Particle&& p) const {return p.getNewContactHistoryRef();}
+ const std::map<walberla::id_t, walberla::mesa_pd::data::ContactHistory>& operator()(const data::Particle& p) const {return p.getNewContactHistory();}
+};
+///Predicate that selects a certain property from a Particle
+class SelectParticleTemperature
+{
+public:
+ using return_type = walberla::real_t;
+ walberla::real_t& operator()(data::Particle& p) const {return p.getTemperatureRef();}
+ walberla::real_t& operator()(data::Particle&& p) const {return p.getTemperatureRef();}
+ const walberla::real_t& operator()(const data::Particle& p) const {return p.getTemperature();}
+};
+///Predicate that selects a certain property from a Particle
+class SelectParticleHeatFlux
+{
+public:
+ using return_type = walberla::real_t;
+ walberla::real_t& operator()(data::Particle& p) const {return p.getHeatFluxRef();}
+ walberla::real_t& operator()(data::Particle&& p) const {return p.getHeatFluxRef();}
+ const walberla::real_t& operator()(const data::Particle& p) const {return p.getHeatFlux();}
+};
+
+} //namespace data
+} //namespace mesa_pd
+} //namespace walberla
\ No newline at end of file
diff --git a/src/mesa_pd/data/STLOverloads.h b/src/mesa_pd/data/STLOverloads.h
new file mode 100644
index 000000000..28cf24885
--- /dev/null
+++ b/src/mesa_pd/data/STLOverloads.h
@@ -0,0 +1,60 @@
+//======================================================================================================================
+//
+// This file is part of waLBerla. waLBerla is free software: you can
+// redistribute it and/or modify it under the terms of the GNU General Public
+// License as published by the Free Software Foundation, either version 3 of
+// the License, or (at your option) any later version.
+//
+// waLBerla is distributed in the hope that it will be useful, but WITHOUT
+// ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
+// FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License
+// for more details.
+//
+// You should have received a copy of the GNU General Public License along
+// with waLBerla (see COPYING.txt). If not, see <http://www.gnu.org/licenses/>.
+//
+//! \file STLOverloads.h
+//! \author Sebastian Eibl <sebastian.eibl@fau.de>
+//
+//======================================================================================================================
+
+#pragma once
+
+#include <mesa_pd/data/DataTypes.h>
+
+#include <map>
+#include <vector>
+
+namespace walberla {
+namespace mesa_pd {
+namespace data {
+
+template< typename Type >
+std::ostream& operator<<( std::ostream& os, const std::vector<Type>& v )
+{
+ os << "<";
+ for (auto it = v.begin(); it != v.end(); ++it)
+ {
+ os << *it;
+ if (it != v.end()-1)
+ os << ",";
+ }
+ os << ">";
+ return os;
+}
+
+template< typename Key, typename T, typename Compare, typename Allocator >
+std::ostream& operator<<( std::ostream& os, const std::map<Key, T, Compare, Allocator>& m )
+{
+ os << "{";
+ for (auto& v : m)
+ {
+ os << v.first << ":" << v.second << ", ";
+ }
+ os << "}";
+ return os;
+}
+
+} //namespace data
+} //namespace mesa_pd
+} //namespace walberla
diff --git a/src/mesa_pd/data/ShapeStorage.h b/src/mesa_pd/data/ShapeStorage.h
new file mode 100644
index 000000000..867098b37
--- /dev/null
+++ b/src/mesa_pd/data/ShapeStorage.h
@@ -0,0 +1,126 @@
+//======================================================================================================================
+//
+// This file is part of waLBerla. waLBerla is free software: you can
+// redistribute it and/or modify it under the terms of the GNU General Public
+// License as published by the Free Software Foundation, either version 3 of
+// the License, or (at your option) any later version.
+//
+// waLBerla is distributed in the hope that it will be useful, but WITHOUT
+// ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
+// FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License
+// for more details.
+//
+// You should have received a copy of the GNU General Public License along
+// with waLBerla (see COPYING.txt). If not, see <http://www.gnu.org/licenses/>.
+//
+//! \file GeometryStorage.h
+//! \author Sebastian Eibl <sebastian.eibl@fau.de>
+//
+//======================================================================================================================
+
+//======================================================================================================================
+//
+// THIS FILE IS GENERATED - PLEASE CHANGE THE TEMPLATE !!!
+//
+//======================================================================================================================
+
+#pragma once
+
+#include <mesa_pd/data/DataTypes.h>
+#include <mesa_pd/data/ParticleStorage.h>
+#include <mesa_pd/data/shape/BaseShape.h>
+#include <mesa_pd/data/shape/Sphere.h>
+#include <mesa_pd/data/shape/HalfSpace.h>
+
+#include <core/Abort.h>
+#include <core/debug/Debug.h>
+#include <core/math/AABB.h>
+
+#include <memory>
+#include <vector>
+
+namespace walberla {
+namespace mesa_pd {
+namespace data {
+
+struct ShapeStorage
+{
+ std::vector<std::unique_ptr<BaseShape>> shapes {};
+
+ template <typename ShapeT, typename... Args>
+ size_t create(Args&&... args);
+
+ template <typename ReturnType, typename func>
+ ReturnType singleDispatch( ParticleStorage& ps, size_t idx, func& f );
+
+ template <typename ReturnType, typename func>
+ ReturnType doubleDispatch( ParticleStorage& ps, size_t idx, size_t idy, func& f );
+};
+//Make sure that no two different shapes have the same unique identifier!
+static_assert( Sphere::SHAPE_TYPE != HalfSpace::SHAPE_TYPE, "Shape types have to be different!" );
+
+template <typename ShapeT, typename... Args>
+size_t ShapeStorage::create(Args&&... args)
+{
+ shapes.push_back(std::make_unique<ShapeT>(std::forward<Args>(args)...));
+ return shapes.size() - 1;
+}
+
+template <typename ReturnType, typename func>
+ReturnType ShapeStorage::singleDispatch( ParticleStorage& ps, size_t idx, func& f )
+{
+ WALBERLA_ASSERT_LESS( idx, ps.size() );
+
+ switch (shapes[ps.getShapeID(idx)]->getShapeType())
+ {
+ case Sphere::SHAPE_TYPE : return f(ps, idx, *static_cast<Sphere*>(shapes[ps.getShapeID(idx)].get()));
+ case HalfSpace::SHAPE_TYPE : return f(ps, idx, *static_cast<HalfSpace*>(shapes[ps.getShapeID(idx)].get()));
+ default : WALBERLA_ABORT("Shape type (" << shapes[ps.getShapeID(idx)]->getShapeType() << ") could not be determined!");
+ }
+}
+
+template <typename ReturnType, typename func>
+ReturnType ShapeStorage::doubleDispatch( ParticleStorage& ps, size_t idx, size_t idy, func& f )
+{
+ WALBERLA_ASSERT_LESS( idx, ps.size() );
+ WALBERLA_ASSERT_LESS( idy, ps.size() );
+
+ switch (shapes[ps.getShapeID(idx)]->getShapeType())
+ {
+ case Sphere::SHAPE_TYPE :
+ switch (shapes[ps.getShapeID(idy)]->getShapeType())
+ {
+ case Sphere::SHAPE_TYPE : return f(ps,
+ idx,
+ *static_cast<Sphere*>(shapes[ps.getShapeID(idx)].get()),
+ idy,
+ *static_cast<Sphere*>(shapes[ps.getShapeID(idy)].get()));
+ case HalfSpace::SHAPE_TYPE : return f(ps,
+ idx,
+ *static_cast<Sphere*>(shapes[ps.getShapeID(idx)].get()),
+ idy,
+ *static_cast<HalfSpace*>(shapes[ps.getShapeID(idy)].get()));
+ default : WALBERLA_ABORT("Shape type (" << shapes[ps.getShapeID(idy)]->getShapeType() << ") could not be determined!");
+ }
+ case HalfSpace::SHAPE_TYPE :
+ switch (shapes[ps.getShapeID(idy)]->getShapeType())
+ {
+ case Sphere::SHAPE_TYPE : return f(ps,
+ idx,
+ *static_cast<HalfSpace*>(shapes[ps.getShapeID(idx)].get()),
+ idy,
+ *static_cast<Sphere*>(shapes[ps.getShapeID(idy)].get()));
+ case HalfSpace::SHAPE_TYPE : return f(ps,
+ idx,
+ *static_cast<HalfSpace*>(shapes[ps.getShapeID(idx)].get()),
+ idy,
+ *static_cast<HalfSpace*>(shapes[ps.getShapeID(idy)].get()));
+ default : WALBERLA_ABORT("Shape type (" << shapes[ps.getShapeID(idy)]->getShapeType() << ") could not be determined!");
+ }
+ default : WALBERLA_ABORT("Shape type (" << shapes[ps.getShapeID(idx)]->getShapeType() << ") could not be determined!");
+ }
+}
+
+} //namespace data
+} //namespace mesa_pd
+} //namespace walberla
\ No newline at end of file
diff --git a/src/mesa_pd/data/shape/BaseShape.h b/src/mesa_pd/data/shape/BaseShape.h
new file mode 100644
index 000000000..6e243477b
--- /dev/null
+++ b/src/mesa_pd/data/shape/BaseShape.h
@@ -0,0 +1,69 @@
+//======================================================================================================================
+//
+// This file is part of waLBerla. waLBerla is free software: you can
+// redistribute it and/or modify it under the terms of the GNU General Public
+// License as published by the Free Software Foundation, either version 3 of
+// the License, or (at your option) any later version.
+//
+// waLBerla is distributed in the hope that it will be useful, but WITHOUT
+// ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
+// FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License
+// for more details.
+//
+// You should have received a copy of the GNU General Public License along
+// with waLBerla (see COPYING.txt). If not, see <http://www.gnu.org/licenses/>.
+//
+//! \file BaseShape.h
+//! \author Sebastian Eibl <sebastian.eibl@fau.de>
+//
+//======================================================================================================================
+
+#pragma once
+
+#include <mesa_pd/data/DataTypes.h>
+
+namespace walberla {
+namespace mesa_pd {
+namespace data {
+
+/**
+ * Base class of all shape types.
+ *
+ * This class contains the basic properties which are inherent for all shapes.
+ * It also stores the shapeType identifier which allows to cast to the actual shape.
+ */
+class BaseShape
+{
+public:
+ explicit BaseShape(const int shapeType) : shapeType_(shapeType) {}
+ virtual ~BaseShape() = default;
+
+ ///Updates mass and inertia according to the actual shape.
+ virtual void updateMassAndInertia(const real_t density);
+
+ virtual real_t getVolume() const = 0;
+
+ real_t& getInvMass() {return invMass_;}
+ const real_t& getInvMass() const {return invMass_;}
+
+ Mat3& getInvInertiaBF() {return invInertiaBF_;}
+ const Mat3& getInvInertiaBF() const {return invInertiaBF_;}
+
+ const int& getShapeType() const {return shapeType_;}
+
+ static const int INVALID_SHAPE = -1; ///< Unique *invalid* shape type identifier.\ingroup mesa_pd_shape
+private:
+ real_t invMass_ = real_t(0); ///< inverse mass
+ Mat3 invInertiaBF_ = Mat3(real_t(0)); ///< inverse inertia matrix in the body frame
+ int shapeType_ = INVALID_SHAPE; ///< \ingroup mesa_pd_shape
+};
+
+inline
+void BaseShape::updateMassAndInertia(const real_t /*density*/)
+{
+ WALBERLA_ABORT("updateMassAndInertia not implemented!");
+}
+
+} //namespace data
+} //namespace mesa_pd
+} //namespace walberla
diff --git a/src/mesa_pd/data/shape/HalfSpace.h b/src/mesa_pd/data/shape/HalfSpace.h
new file mode 100644
index 000000000..734d6b4c6
--- /dev/null
+++ b/src/mesa_pd/data/shape/HalfSpace.h
@@ -0,0 +1,65 @@
+//======================================================================================================================
+//
+// This file is part of waLBerla. waLBerla is free software: you can
+// redistribute it and/or modify it under the terms of the GNU General Public
+// License as published by the Free Software Foundation, either version 3 of
+// the License, or (at your option) any later version.
+//
+// waLBerla is distributed in the hope that it will be useful, but WITHOUT
+// ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
+// FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License
+// for more details.
+//
+// You should have received a copy of the GNU General Public License along
+// with waLBerla (see COPYING.txt). If not, see <http://www.gnu.org/licenses/>.
+//
+//! \file HalfSpace.h
+//! \author Sebastian Eibl <sebastian.eibl@fau.de>
+//
+//======================================================================================================================
+
+#pragma once
+
+#include <mesa_pd/data/shape/BaseShape.h>
+
+namespace walberla {
+namespace mesa_pd {
+namespace data {
+
+/**
+ * Half space shape class.
+ *
+ * \attention
+ * The HalfSpace does not obay any rotation. The rotation is given purely be the normal of the half space!
+ */
+class HalfSpace : public BaseShape
+{
+public:
+ explicit HalfSpace(const Vec3& normal) : BaseShape(HalfSpace::SHAPE_TYPE), normal_(normal) { updateMassAndInertia(real_t(1.0)); }
+
+ void updateMassAndInertia(const real_t density) override;
+
+ real_t getVolume() const override { return std::numeric_limits<real_t>::infinity(); }
+
+ const Vec3& getNormal() const { return normal_; }
+
+ static const int SHAPE_TYPE = 0; ///< Unique shape type identifier for planes.\ingroup mesa_pd_shape
+private:
+ /**
+ * Normal of the plane in reference to the global world frame.
+ *
+ * The normal of the plane is always pointing towards the halfspace outside the plane.
+ **/
+ Vec3 normal_;
+};
+
+inline
+void HalfSpace::updateMassAndInertia(const real_t /*density*/)
+{
+ getInvMass() = real_t(0);
+ getInvInertiaBF() = Mat3(real_t(0));
+}
+
+} //namespace data
+} //namespace mesa_pd
+} //namespace walberla
diff --git a/src/mesa_pd/data/shape/Sphere.h b/src/mesa_pd/data/shape/Sphere.h
new file mode 100644
index 000000000..7244eb3ed
--- /dev/null
+++ b/src/mesa_pd/data/shape/Sphere.h
@@ -0,0 +1,60 @@
+//======================================================================================================================
+//
+// This file is part of waLBerla. waLBerla is free software: you can
+// redistribute it and/or modify it under the terms of the GNU General Public
+// License as published by the Free Software Foundation, either version 3 of
+// the License, or (at your option) any later version.
+//
+// waLBerla is distributed in the hope that it will be useful, but WITHOUT
+// ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
+// FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License
+// for more details.
+//
+// You should have received a copy of the GNU General Public License along
+// with waLBerla (see COPYING.txt). If not, see <http://www.gnu.org/licenses/>.
+//
+//! \file Sphere.h
+//! \author Sebastian Eibl <sebastian.eibl@fau.de>
+//
+//======================================================================================================================
+
+#pragma once
+
+#include <mesa_pd/data/shape/BaseShape.h>
+
+#include <core/math/Constants.h>
+
+namespace walberla {
+namespace mesa_pd {
+namespace data {
+
+class Sphere : public BaseShape
+{
+public:
+ explicit Sphere(const real_t& radius) : BaseShape(Sphere::SHAPE_TYPE), radius_(radius) {}
+
+ const real_t& getRadius() const { return radius_; }
+
+ void updateMassAndInertia(const real_t density) override;
+
+ real_t getVolume() const override { return (real_t(4) / real_t(3)) * math::M_PI * getRadius() * getRadius() * getRadius(); }
+
+ static const int SHAPE_TYPE = 1; ///< Unique shape type identifier for spheres.\ingroup mesa_pd_shape
+
+private:
+ real_t radius_; ///< radius of the sphere
+};
+
+inline
+void Sphere::updateMassAndInertia(const real_t density)
+{
+ const real_t m = (real_c(4.0)/real_c(3.0) * math::M_PI) * getRadius() * getRadius() * getRadius() * density;
+ const Mat3 I = Mat3::makeDiagonalMatrix( real_c(0.4) * m * getRadius() * getRadius() );
+
+ getInvMass() = real_t(1.0) / m;
+ getInvInertiaBF() = I.getInverse();
+}
+
+} //namespace data
+} //namespace mesa_pd
+} //namespace walberla
diff --git a/src/mesa_pd/data/shape/shape_group.dox b/src/mesa_pd/data/shape/shape_group.dox
new file mode 100644
index 000000000..ce831631b
--- /dev/null
+++ b/src/mesa_pd/data/shape/shape_group.dox
@@ -0,0 +1,11 @@
+namespace walberla {
+namespace mesa_pd {
+
+/**
+ * \defgroup mesa_pd_shape Particle shapes of MESA-PD module
+ * \ingroup mesa_pd
+ * Description of particle shapes available in the MESA-PD module.
+**/
+
+}
+}
diff --git a/src/mesa_pd/domain/BlockForestDataHandling.cpp b/src/mesa_pd/domain/BlockForestDataHandling.cpp
new file mode 100644
index 000000000..683c5aa15
--- /dev/null
+++ b/src/mesa_pd/domain/BlockForestDataHandling.cpp
@@ -0,0 +1,208 @@
+//======================================================================================================================
+//
+// This file is part of waLBerla. waLBerla is free software: you can
+// redistribute it and/or modify it under the terms of the GNU General Public
+// License as published by the Free Software Foundation, either version 3 of
+// the License, or (at your option) any later version.
+//
+// waLBerla is distributed in the hope that it will be useful, but WITHOUT
+// ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
+// FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License
+// for more details.
+//
+// You should have received a copy of the GNU General Public License along
+// with waLBerla (see COPYING.txt). If not, see <http://www.gnu.org/licenses/>.
+//
+//! \file BlockForestDataHandling.cpp
+//! \author Sebastian Eibl <sebastian.eibl@fau.de>
+//
+//======================================================================================================================
+
+#include <mesa_pd/domain/BlockForestDataHandling.h>
+
+#include <mesa_pd/data/DataTypes.h>
+#include <mesa_pd/data/ParticleStorage.h>
+
+#include <mesa_pd/mpi/notifications/ParticleCopyNotification.h>
+
+#include "blockforest/BlockDataHandling.h"
+#include "blockforest/BlockForest.h"
+#include "core/Abort.h"
+
+namespace walberla{
+namespace mesa_pd{
+namespace domain {
+
+namespace internal {
+ParticleDeleter::ParticleDeleter(const std::shared_ptr<data::ParticleStorage>& ps,
+ const math::AABB& aabb) :
+ ps_(ps),
+ aabb_(aabb)
+{}
+
+ParticleDeleter::~ParticleDeleter()
+{
+ for (auto pIt = ps_->begin(); pIt != ps_->end(); )
+ {
+ if (aabb_.contains(pIt->getPosition()))
+ {
+ pIt = ps_->erase(pIt);
+ continue;
+ }
+ ++pIt;
+ }
+}
+
+bool operator==(const ParticleDeleter& lhs, const ParticleDeleter& rhs)
+{
+ return ((lhs.ps_ == rhs.ps_) && (lhs.aabb_ == rhs.aabb_));
+}
+} //namespace internal
+
+internal::ParticleDeleter* BlockForestDataHandling::initialize( IBlock * const block )
+{
+ return new internal::ParticleDeleter(ps_, block->getAABB());
+}
+
+void BlockForestDataHandling::serialize( IBlock * const block, const BlockDataID & /*id*/, mpi::SendBuffer & buffer )
+{
+ decltype(ps_->size()) numOfParticles = 0;
+
+ //allocate bytes to store the number of particles which are sent
+ //this number is only known at the end -> this value is written at the end
+ auto ptr = buffer.allocate<decltype(ps_->size())>();
+
+ for( auto pIt = ps_->begin(); pIt != ps_->end(); ++pIt)
+ {
+ //since ps_ is process local we have to skip particles which are not located on this block
+ if ( !block->getAABB().contains( pIt->getPosition()) ) continue;
+ //skip ghosts
+ if (data::particle_flags::isSet( pIt->getFlags(), data::particle_flags::GHOST)) continue;
+ //skip globals
+ if (data::particle_flags::isSet( pIt->getFlags(), data::particle_flags::GLOBAL)) continue;
+
+ buffer << ParticleCopyNotification( *pIt );
+ ++numOfParticles;
+ }
+
+ *ptr = numOfParticles;
+}
+
+internal::ParticleDeleter* BlockForestDataHandling::deserialize( IBlock * const block )
+{
+ return initialize(block);
+}
+
+void BlockForestDataHandling::deserialize( IBlock * const block, const BlockDataID & id, mpi::RecvBuffer & buffer )
+{
+ deserializeImpl( block, id, buffer);
+}
+
+void BlockForestDataHandling::serializeCoarseToFine( Block * const block, const BlockDataID & /*id*/, mpi::SendBuffer & buffer, const uint_t child )
+{
+ // get child aabb
+ const auto childID = BlockID(block->getId(), child);
+ const auto childAABB = block->getForest().getAABBFromBlockId(childID);
+ //WALBERLA_LOG_DEVEL( (child & uint_t(1)) << (child & uint_t(2)) << (child & uint_t(4)) << "\naabb: " << aabb << "\nchild: " << childAABB );
+
+ decltype(ps_->size()) numOfParticles = 0;
+
+ //allocate bytes to store the number of particles which are sent
+ //this number is only known at the end -> this value is written at the end
+ auto ptr = buffer.allocate<decltype(ps_->size())>();
+
+ for (auto pIt = ps_->begin(); pIt != ps_->end(); ++pIt)
+ {
+ //since ps_ is process local we have to skip particles which are not located on this block
+ if ( !block->getAABB().contains( pIt->getPosition()) ) continue;
+ //skip ghosts
+ if (data::particle_flags::isSet( pIt->getFlags(), data::particle_flags::GHOST)) continue;
+ //skip globals
+ if (data::particle_flags::isSet( pIt->getFlags(), data::particle_flags::GLOBAL)) continue;
+
+ if( childAABB.contains( pIt->getPosition()) )
+ {
+ buffer << ParticleCopyNotification( *pIt );
+ ++numOfParticles;
+ }
+ }
+ *ptr = numOfParticles;
+}
+
+void BlockForestDataHandling::serializeFineToCoarse( Block * const block, const BlockDataID & /*id*/, mpi::SendBuffer & buffer )
+{
+ decltype(ps_->size()) numOfParticles = 0;
+
+ //allocate bytes to store the number of particles which are sent
+ //this number is only known at the end -> this value is written at the end
+ auto ptr = buffer.allocate<decltype(ps_->size())>();
+
+ for (auto pIt = ps_->begin(); pIt != ps_->end(); ++pIt)
+ {
+ //since ps_ is process local we have to skip particles which are not located on this block
+ if ( !block->getAABB().contains( pIt->getPosition()) ) continue;
+ //skip ghosts
+ if (data::particle_flags::isSet( pIt->getFlags(), data::particle_flags::GHOST)) continue;
+ //skip globals
+ if (data::particle_flags::isSet( pIt->getFlags(), data::particle_flags::GLOBAL)) continue;
+
+ buffer << ParticleCopyNotification( *pIt );
+ ++numOfParticles;
+ }
+
+ *ptr = numOfParticles;
+}
+
+internal::ParticleDeleter* BlockForestDataHandling::deserializeCoarseToFine( Block * const block )
+{
+ return initialize(block);
+}
+
+internal::ParticleDeleter* BlockForestDataHandling::deserializeFineToCoarse( Block * const block )
+{
+ return initialize(block);
+}
+
+void BlockForestDataHandling::deserializeCoarseToFine( Block * const block, const BlockDataID & id, mpi::RecvBuffer & buffer )
+{
+ deserializeImpl( block, id, buffer);
+}
+
+
+void BlockForestDataHandling::deserializeFineToCoarse( Block * const block, const BlockDataID & id, mpi::RecvBuffer & buffer, const uint_t /*child*/ )
+{
+ deserializeImpl( block, id, buffer);
+}
+
+
+void BlockForestDataHandling::deserializeImpl( IBlock * const block, const BlockDataID & /*id*/, mpi::RecvBuffer & buffer )
+{
+ decltype(ps_->size()) numBodies = 0;
+ buffer >> numBodies;
+
+ while( numBodies > 0 )
+ {
+ typename ParticleCopyNotification::Parameters objparam;
+ buffer >> objparam;
+
+ auto pIt = createNewParticle(*ps_, objparam);
+ WALBERLA_CHECK(!data::particle_flags::isSet(pIt->getFlags(), data::particle_flags::GHOST));
+ pIt->setOwner( MPIManager::instance()->rank() );
+
+ if ( !block->getAABB().contains( pIt->getPosition()) )
+ {
+ WALBERLA_ABORT("Loaded particle not contained within block!\n" << "aabb: " << block->getAABB() << "\nparticle:" << *pIt );
+ }
+
+ --numBodies;
+ }
+}
+
+std::shared_ptr<BlockForestDataHandling> createBlockForestDataHandling(const std::shared_ptr<data::ParticleStorage>& ps)
+{
+ return make_shared<BlockForestDataHandling >( ps );
+}
+
+} //namespace domain
+} //namespace mesa_pd
+} //namespace walberla
diff --git a/src/mesa_pd/domain/BlockForestDataHandling.h b/src/mesa_pd/domain/BlockForestDataHandling.h
new file mode 100644
index 000000000..4df5a2f2c
--- /dev/null
+++ b/src/mesa_pd/domain/BlockForestDataHandling.h
@@ -0,0 +1,98 @@
+//======================================================================================================================
+//
+// This file is part of waLBerla. waLBerla is free software: you can
+// redistribute it and/or modify it under the terms of the GNU General Public
+// License as published by the Free Software Foundation, either version 3 of
+// the License, or (at your option) any later version.
+//
+// waLBerla is distributed in the hope that it will be useful, but WITHOUT
+// ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
+// FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License
+// for more details.
+//
+// You should have received a copy of the GNU General Public License along
+// with waLBerla (see COPYING.txt). If not, see <http://www.gnu.org/licenses/>.
+//
+//! \file BlockForestDataHandling.h
+//! \author Sebastian Eibl <sebastian.eibl@fau.de>
+//
+//======================================================================================================================
+
+#pragma once
+
+#include "blockforest/BlockDataHandling.h"
+#include "blockforest/BlockForest.h"
+#include "core/Abort.h"
+
+namespace walberla{
+namespace mesa_pd{
+
+namespace data { class ParticleStorage; }
+
+namespace domain {
+
+namespace internal {
+/**
+ * Class which gets initialized by BlockForestDataHandling
+ *
+ * This class is needed to delete particles if blocks get destroyed.
+ * Since the data of MESA_PD is isolated from the blocks one has to
+ * take care of correct removal of particles.
+ *
+ * If a block gets moved by the load balancing the remaining block is
+ * deleted. Therefore all particles have to be destroyed.
+ * However, if the DataHandling is used for checkpointing the particles
+ * should not be deleted after serialization. Coupling the deletion
+ * to the lifetime of the block solves both problems.
+ *
+ * \attention Has to be defined in the header file since data management
+ * of blocks needs complete types.
+ */
+class ParticleDeleter
+{
+ friend bool operator==(const ParticleDeleter& lhs, const ParticleDeleter& rhs);
+public:
+ ParticleDeleter(const std::shared_ptr<data::ParticleStorage>& ps,
+ const math::AABB& aabb);
+
+ ~ParticleDeleter();
+private:
+ std::shared_ptr<data::ParticleStorage> ps_;
+ math::AABB aabb_; ///< AABB of the associated block.
+};
+
+bool operator==(const ParticleDeleter& lhs, const ParticleDeleter& rhs);
+}
+
+class BlockForestDataHandling: public blockforest::BlockDataHandling<internal::ParticleDeleter>
+{
+public:
+ BlockForestDataHandling(const std::shared_ptr<data::ParticleStorage>& ps) : ps_(ps) {}
+ virtual ~BlockForestDataHandling() {}
+
+ virtual internal::ParticleDeleter* initialize( IBlock * const block ) WALBERLA_OVERRIDE;
+
+ virtual void serialize( IBlock * const block, const BlockDataID & id, mpi::SendBuffer & buffer ) WALBERLA_OVERRIDE;
+ virtual internal::ParticleDeleter* deserialize( IBlock * const block ) WALBERLA_OVERRIDE;
+ virtual void deserialize( IBlock * const block, const BlockDataID & id, mpi::RecvBuffer & buffer ) WALBERLA_OVERRIDE;
+
+ virtual void serializeCoarseToFine( Block * const block, const BlockDataID & id, mpi::SendBuffer & buffer, const uint_t child ) WALBERLA_OVERRIDE;
+ virtual void serializeFineToCoarse( Block * const block, const BlockDataID & id, mpi::SendBuffer & buffer ) WALBERLA_OVERRIDE;
+
+ virtual internal::ParticleDeleter* deserializeCoarseToFine( Block * const block ) WALBERLA_OVERRIDE;
+ virtual internal::ParticleDeleter* deserializeFineToCoarse( Block * const block ) WALBERLA_OVERRIDE;
+
+ virtual void deserializeCoarseToFine( Block * const block, const BlockDataID & id, mpi::RecvBuffer & buffer ) WALBERLA_OVERRIDE;
+ virtual void deserializeFineToCoarse( Block * const block, const BlockDataID & id, mpi::RecvBuffer & buffer, const uint_t child ) WALBERLA_OVERRIDE;
+
+private:
+ void deserializeImpl( IBlock * const block, const BlockDataID & id, mpi::RecvBuffer & buffer );
+
+ std::shared_ptr<data::ParticleStorage> ps_;
+};
+
+std::shared_ptr<BlockForestDataHandling> createBlockForestDataHandling(const std::shared_ptr<data::ParticleStorage>& ps);
+
+} //namespace domain
+} //namespace mesa_pd
+} //namespace walberla
diff --git a/src/mesa_pd/domain/BlockForestDomain.cpp b/src/mesa_pd/domain/BlockForestDomain.cpp
new file mode 100644
index 000000000..483eaa9b8
--- /dev/null
+++ b/src/mesa_pd/domain/BlockForestDomain.cpp
@@ -0,0 +1,246 @@
+//======================================================================================================================
+//
+// This file is part of waLBerla. waLBerla is free software: you can
+// redistribute it and/or modify it under the terms of the GNU General Public
+// License as published by the Free Software Foundation, either version 3 of
+// the License, or (at your option) any later version.
+//
+// waLBerla is distributed in the hope that it will be useful, but WITHOUT
+// ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
+// FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License
+// for more details.
+//
+// You should have received a copy of the GNU General Public License along
+// with waLBerla (see COPYING.txt). If not, see <http://www.gnu.org/licenses/>.
+//
+//! \file BlockForestDomain.cpp
+//! \author Sebastian Eibl <sebastian.eibl@fau.de>
+//
+//======================================================================================================================
+
+#include "BlockForestDomain.h"
+
+#include <core/debug/CheckFunctions.h>
+#include <core/math/AABB.h>
+#include <core/mpi/MPIManager.h>
+
+namespace walberla {
+namespace mesa_pd {
+namespace domain {
+
+
+/// \post neighborSubdomains_ is sorted by rank
+BlockForestDomain::BlockForestDomain(const std::shared_ptr<blockforest::BlockForest>& blockForest)
+ : blockForest_(blockForest)
+{
+ ownRank_ = mpi::MPIManager::instance()->rank();
+
+ periodic_[0] = blockForest_->isPeriodic(0);
+ periodic_[1] = blockForest_->isPeriodic(1);
+ periodic_[2] = blockForest_->isPeriodic(2);
+
+ if (blockForest_->empty()) return;
+
+ unionOfLocalAABBs_ = blockForest_->begin()->getAABB();
+ for (auto& iBlk : *blockForest_)
+ {
+ const Block& blk = *static_cast<blockforest::Block*>(&iBlk);
+ localAABBs_.push_back(blk.getAABB());
+ unionOfLocalAABBs_.merge(blk.getAABB());
+ for (uint_t nb = 0; nb < blk.getNeighborhoodSize(); ++nb)
+ {
+ if (int_c(blk.getNeighborProcess(nb)) == ownRank_) continue;
+
+ //check if neighbor aabb is already present
+ const BlockID& nbBlkId = blk.getNeighborId(nb);
+ if (std::find_if(neighborSubdomains_.begin(),
+ neighborSubdomains_.end(),
+ [&nbBlkId](const auto& subdomain){return subdomain.blockID == nbBlkId;}) ==
+ neighborSubdomains_.end())
+ {
+ neighborSubdomains_.emplace_back(int_c(blk.getNeighborProcess(nb)), nbBlkId, blk.getNeighborAABB(nb));
+ }
+ }
+ }
+
+ //sort by rank
+ std::sort(neighborSubdomains_.begin(),
+ neighborSubdomains_.end(),
+ [](const auto& lhs, const auto& rhs){ return lhs.rank < rhs.rank; });
+
+ //generate list of neighbor processes
+ int prevRank = -1;
+ for (auto& subdomain : neighborSubdomains_)
+ {
+ if ((prevRank != subdomain.rank) && (subdomain.rank != ownRank_))
+ {
+ neighborProcesses_.emplace_back(uint_c(subdomain.rank));
+ prevRank = subdomain.rank;
+ }
+ }
+}
+
+bool BlockForestDomain::isContainedInProcessSubdomain(const uint_t rank, const Vec3& pt) const
+{
+ if (blockForest_->empty()) return false;
+
+ if (uint_c(ownRank_) == rank)
+ {
+ // check if point is in local subdomain by checking all aabbs
+ for (auto& aabb : localAABBs_)
+ {
+ if (aabb.contains(pt)) return true;
+ }
+ } else
+ {
+ WALBERLA_ASSERT(std::is_sorted(neighborSubdomains_.begin(),
+ neighborSubdomains_.end(),
+ [](const auto& lhs, const auto& rhs){ return lhs.rank < rhs.rank;}));
+
+ auto begin = std::find_if(neighborSubdomains_.begin(),
+ neighborSubdomains_.end(),
+ [&rank](const auto& subdomain){ return subdomain.rank == int_c(rank); });
+ if (begin == neighborSubdomains_.end()) return false; //no information for rank available
+ auto end = std::find_if(begin,
+ neighborSubdomains_.end(),
+ [&rank](const auto& subdomain){ return subdomain.rank != int_c(rank); });
+
+ for (auto it = begin; it != end; ++it)
+ {
+ if (it->aabb.contains(pt)) return true;
+ }
+ }
+ return false;
+}
+
+bool BlockForestDomain::isContainedInLocalSubdomain(const Vec3& pt,
+ const real_t& radius) const
+{
+ for (auto& aabb : localAABBs_)
+ {
+ if (isInsideAABB(pt, radius, aabb)) return true;
+ }
+ return false;
+}
+
+bool BlockForestDomain::isContainedInProcessSubdomain(const Vec3& pt, const real_t& radius) const
+{
+ if (blockForest_->empty()) return false;
+
+ //completely contained in local aabb?
+ for (auto& aabb : localAABBs_)
+ {
+ if (aabb.contains(pt))
+ {
+ if (isInsideAABB(pt, radius, aabb))
+ {
+ return true;
+ }
+
+ break;
+ }
+ }
+
+ //intersects one of the neighboring subdomains?
+ for (auto& subdomain : neighborSubdomains_)
+ {
+ if (sqDistancePointToAABB(pt, subdomain.aabb) < radius*radius) return false;
+ }
+
+ return true;
+}
+
+int BlockForestDomain::findContainingProcessRank(const Vec3& pt) const
+{
+ if (blockForest_->empty()) return -1;
+
+ if (isContainedInProcessSubdomain(uint_c(ownRank_), pt)) return ownRank_;
+ for( uint_t rank : getNeighborProcesses() )
+ {
+ if (isContainedInProcessSubdomain(rank, pt)) return int_c(rank);
+ }
+ return -1;
+}
+void BlockForestDomain::periodicallyMapToDomain(Vec3& pt) const
+{
+ blockForest_->mapToPeriodicDomain(pt);
+}
+
+std::vector<uint_t> BlockForestDomain::getNeighborProcesses() const
+{
+ return neighborProcesses_;
+}
+
+bool BlockForestDomain::intersectsWithProcessSubdomain(const uint_t rank, const Vec3& pt, const real_t& radius) const
+{
+ if (blockForest_->empty()) return false;
+
+ WALBERLA_ASSERT(std::is_sorted(neighborSubdomains_.begin(),
+ neighborSubdomains_.end(),
+ [](const auto& lhs, const auto& rhs){ return lhs.rank < rhs.rank;}));
+
+ WALBERLA_CHECK_UNEQUAL(uint_c(ownRank_), rank, "checking own domain is currently not implemented");
+
+ if (isInsideGlobalDomain(pt, radius))
+ {
+ size_t idx = 0;
+ WALBERLA_ASSERT_LESS(idx, neighborSubdomains_.size());
+ while (neighborSubdomains_[idx].rank != int_c(rank))
+ {
+ ++idx;
+ WALBERLA_ASSERT_LESS(idx, neighborSubdomains_.size());
+ }
+ while (neighborSubdomains_[idx].rank == int_c(rank))
+ {
+ if (sqDistancePointToAABB(pt, neighborSubdomains_[idx].aabb) <= radius * radius) return true;
+ ++idx;
+ if (idx >= neighborSubdomains_.size()) break;
+ WALBERLA_ASSERT_LESS(idx, neighborSubdomains_.size());
+ }
+ } else
+ {
+ size_t idx = 0;
+ WALBERLA_ASSERT_LESS(idx, neighborSubdomains_.size());
+ while (neighborSubdomains_[idx].rank != int_c(rank))
+ {
+ ++idx;
+ WALBERLA_ASSERT_LESS(idx, neighborSubdomains_.size());
+ }
+ while (neighborSubdomains_[idx].rank == int_c(rank))
+ {
+ if (sqDistancePointToAABBPeriodic(pt, neighborSubdomains_[idx].aabb, blockForest_->getDomain(), periodic_) <= radius * radius) return true;
+ ++idx;
+ if (idx >= neighborSubdomains_.size()) break;
+ WALBERLA_ASSERT_LESS(idx, neighborSubdomains_.size());
+ }
+ }
+
+ return false;
+}
+
+void BlockForestDomain::correctParticlePosition(Vec3& pt) const
+{
+ const Vec3 center = unionOfLocalAABBs_.center();
+ const Vec3 dis = pt - center;
+
+ const auto& domain = blockForest_->getDomain();
+
+ if (periodic_[0] && (-domain.xSize() * 0.5 > dis[0])) pt[0] += domain.xSize();
+ if (periodic_[0] && (+domain.xSize() * 0.5 < dis[0])) pt[0] -= domain.xSize();
+
+ if (periodic_[1] && (-domain.ySize() * 0.5 > dis[1])) pt[1] += domain.ySize();
+ if (periodic_[1] && (+domain.ySize() * 0.5 < dis[1])) pt[1] -= domain.ySize();
+
+ if (periodic_[2] && (-domain.zSize() * 0.5 > dis[2])) pt[2] += domain.zSize();
+ if (periodic_[2] && (+domain.zSize() * 0.5 < dis[2])) pt[2] -= domain.zSize();
+}
+
+
+bool BlockForestDomain::isInsideGlobalDomain(const Vec3& pt, const real_t& radius) const
+{
+ return isInsideAABB(pt, radius, blockForest_->getDomain());
+}
+
+} //namespace domain
+} //namespace mesa_pd
+} //namespace walberla
diff --git a/src/mesa_pd/domain/BlockForestDomain.h b/src/mesa_pd/domain/BlockForestDomain.h
new file mode 100644
index 000000000..897b56348
--- /dev/null
+++ b/src/mesa_pd/domain/BlockForestDomain.h
@@ -0,0 +1,139 @@
+//======================================================================================================================
+//
+// This file is part of waLBerla. waLBerla is free software: you can
+// redistribute it and/or modify it under the terms of the GNU General Public
+// License as published by the Free Software Foundation, either version 3 of
+// the License, or (at your option) any later version.
+//
+// waLBerla is distributed in the hope that it will be useful, but WITHOUT
+// ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
+// FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License
+// for more details.
+//
+// You should have received a copy of the GNU General Public License along
+// with waLBerla (see COPYING.txt). If not, see <http://www.gnu.org/licenses/>.
+//
+//! \file BlockForestDomain.h
+//! \author Sebastian Eibl <sebastian.eibl@fau.de>
+//
+//======================================================================================================================
+
+#pragma once
+
+#include <mesa_pd/domain/IDomain.h>
+
+#include <blockforest/BlockForest.h>
+
+#include <memory>
+
+namespace walberla {
+namespace mesa_pd {
+namespace domain {
+
+class BlockForestDomain : public IDomain
+{
+public:
+ BlockForestDomain(const std::shared_ptr<blockforest::BlockForest>& blockForest);
+
+ bool isContainedInProcessSubdomain(const uint_t rank, const Vec3& pt) const override;
+ bool isContainedInLocalSubdomain(const Vec3& pt, const real_t& radius) const override;
+ /// Is the sphere defined by \p pt and \p radius completely inside the local subdomin?
+ /// \attention Also take into account periodicity!
+ /// \param pt center of the sphere
+ /// \param radius radius of the sphere
+ bool isContainedInProcessSubdomain(const Vec3& pt, const real_t& radius) const;
+ int findContainingProcessRank(const Vec3& pt) const override;
+ void periodicallyMapToDomain(Vec3& pt) const override;
+ std::vector<uint_t> getNeighborProcesses() const override;
+ bool intersectsWithProcessSubdomain(const uint_t rank, const Vec3& pt, const real_t& radius) const override;
+ void correctParticlePosition(Vec3& pt) const override;
+
+ size_t getNumLocalAABBs() const {return localAABBs_.size();}
+ size_t getNumNeighborSubdomains() const {return neighborSubdomains_.size();}
+ size_t getNumNeighborProcesses() const {return neighborProcesses_.size();}
+private:
+ bool isInsideGlobalDomain(const Vec3& pt, const real_t& radius) const;
+
+ std::shared_ptr<blockforest::BlockForest> blockForest_;
+
+ struct Subdomain
+ {
+ Subdomain(const int r, const BlockID& id, const math::AABB& ab) : rank(r), blockID(id), aabb(ab) {}
+ int rank;
+ BlockID blockID;
+ math::AABB aabb;
+ };
+
+ int ownRank_ = -1;
+ std::array< bool, 3 > periodic_;
+
+ std::vector<math::AABB> localAABBs_;
+ math::AABB unionOfLocalAABBs_;
+ std::vector<Subdomain> neighborSubdomains_;
+ std::vector<uint_t> neighborProcesses_;
+};
+
+} //namespace domain
+
+inline real_t sqDistanceLineToPoint( const real_t& pt, const real_t& min, const real_t& max )
+{
+ if (pt < min)
+ return (min - pt) * (min - pt);
+ if (pt > max)
+ return (pt - max) * (pt - max);
+ return real_t(0);
+}
+
+inline real_t sqDistancePointToAABB( const Vec3& pt, const math::AABB& aabb )
+{
+ real_t sq = 0.0;
+
+ sq += sqDistanceLineToPoint( pt[0], aabb.xMin(), aabb.xMax() );
+ sq += sqDistanceLineToPoint( pt[1], aabb.yMin(), aabb.yMax() );
+ sq += sqDistanceLineToPoint( pt[2], aabb.zMin(), aabb.zMax() );
+
+ return sq;
+}
+
+inline real_t sqDistancePointToAABBPeriodic( Vec3 pt,
+ const math::AABB& aabb,
+ const math::AABB& domain,
+ const std::array< bool, 3 >& periodic )
+{
+ auto size = domain.sizes() * real_t(0.5);
+ auto d = pt - aabb.center();
+
+ if (periodic[0] && (d[0] < -size[0])) pt[0] += domain.sizes()[0];
+ if (periodic[0] && (d[0] > +size[0])) pt[0] -= domain.sizes()[0];
+
+ if (periodic[1] && (d[1] < -size[1])) pt[1] += domain.sizes()[1];
+ if (periodic[1] && (d[1] > +size[1])) pt[1] -= domain.sizes()[1];
+
+ if (periodic[2] && (d[2] < -size[2])) pt[2] += domain.sizes()[2];
+ if (periodic[2] && (d[2] > +size[2])) pt[2] -= domain.sizes()[2];
+
+ real_t sq = 0.0;
+
+ sq += sqDistanceLineToPoint( pt[0], aabb.xMin(), aabb.xMax() );
+ sq += sqDistanceLineToPoint( pt[1], aabb.yMin(), aabb.yMax() );
+ sq += sqDistanceLineToPoint( pt[2], aabb.zMin(), aabb.zMax() );
+
+ return sq;
+}
+
+inline bool isInsideAABB( const Vec3& pt,
+ const real_t radius,
+ const math::AABB& aabb)
+{
+ if (!aabb.contains(pt)) return false;
+ if ((pt[0] - aabb.xMin()) < radius) return false;
+ if ((aabb.xMax() - pt[0]) < radius) return false;
+ if ((pt[1] - aabb.yMin()) < radius) return false;
+ if ((aabb.yMax() - pt[1]) < radius) return false;
+ if ((pt[2] - aabb.zMin()) < radius) return false;
+ if ((aabb.zMax() - pt[2]) < radius) return false;
+ return true;
+}
+
+} //namespace mesa_pd
+} //namespace walberla
diff --git a/src/mesa_pd/domain/IDomain.h b/src/mesa_pd/domain/IDomain.h
new file mode 100644
index 000000000..532a10e02
--- /dev/null
+++ b/src/mesa_pd/domain/IDomain.h
@@ -0,0 +1,74 @@
+//======================================================================================================================
+//
+// This file is part of waLBerla. waLBerla is free software: you can
+// redistribute it and/or modify it under the terms of the GNU General Public
+// License as published by the Free Software Foundation, either version 3 of
+// the License, or (at your option) any later version.
+//
+// waLBerla is distributed in the hope that it will be useful, but WITHOUT
+// ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
+// FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License
+// for more details.
+//
+// You should have received a copy of the GNU General Public License along
+// with waLBerla (see COPYING.txt). If not, see <http://www.gnu.org/licenses/>.
+//
+//! \file IDomain.h
+//! \author Sebastian Eibl <sebastian.eibl@fau.de>
+//
+//======================================================================================================================
+
+#pragma once
+
+#include <mesa_pd/data/DataTypes.h>
+
+namespace walberla {
+namespace mesa_pd {
+namespace domain {
+
+/**
+ * Abstract base class for the local subdomain
+ */
+class IDomain
+{
+public:
+ virtual ~IDomain() = default;
+
+ /// Is the point \p pt located inside the subdomain of the process with rank \p rank?
+ /// \attention This function is supposed to check the local subdomain and next neighbor subdomains (periodicity).
+ /// No global check is required!
+ /// \return If you have no information about the specified process return false.
+ virtual bool isContainedInProcessSubdomain(const uint_t rank, const Vec3& pt) const = 0;
+
+ /// Is the sphere located inside the local subdomain?
+ /// \attention This function is used for an early out. Therefore returning true has to be correct, returning false
+ /// can also be wrong.
+ virtual bool isContainedInLocalSubdomain(const Vec3& /*pt*/, const real_t& /*radius*/) const { return false; }
+
+ /// Find the process rank which is responsible for \p pt.
+ /// \attention No global information is required, just check local process and adjacent processes (periodicity!).
+ /// \pre \p pt will be always inside the global domain.
+ /// \return Returns the process rank or -1 if cannot be found within next neighbors.
+ virtual int findContainingProcessRank(const Vec3& pt) const = 0;
+
+ /// Map the point \p pt periodically into the global domain.
+ /// \post pt has to be located inside the global domain
+ virtual void periodicallyMapToDomain(Vec3& pt) const = 0;
+
+ /// Returns a vector of ranks from all neighboring processes.
+ virtual std::vector<uint_t> getNeighborProcesses() const = 0;
+
+ /// Does the sphere defined by \p pt and \p radius intersect with the subdomain
+ /// of process \p rank?
+ /// \param pt center of the sphere
+ /// \param radius radius of the sphere
+ /// \return If you have no information about the specified process return false.
+ virtual bool intersectsWithProcessSubdomain(const uint_t rank, const Vec3& pt, const real_t& radius) const = 0;
+
+ /// Correct the particle position in regard to the local subdomain.
+ virtual void correctParticlePosition(Vec3& pt) const = 0;
+};
+
+} //namespace domain
+} //namespace mesa_pd
+} //namespace walberla
diff --git a/src/mesa_pd/domain/InfiniteDomain.h b/src/mesa_pd/domain/InfiniteDomain.h
new file mode 100644
index 000000000..27a1c2ea7
--- /dev/null
+++ b/src/mesa_pd/domain/InfiniteDomain.h
@@ -0,0 +1,43 @@
+//======================================================================================================================
+//
+// This file is part of waLBerla. waLBerla is free software: you can
+// redistribute it and/or modify it under the terms of the GNU General Public
+// License as published by the Free Software Foundation, either version 3 of
+// the License, or (at your option) any later version.
+//
+// waLBerla is distributed in the hope that it will be useful, but WITHOUT
+// ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
+// FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License
+// for more details.
+//
+// You should have received a copy of the GNU General Public License along
+// with waLBerla (see COPYING.txt). If not, see <http://www.gnu.org/licenses/>.
+//
+//! \file InfiniteDomain.h
+//! \author Sebastian Eibl <sebastian.eibl@fau.de>
+//
+//======================================================================================================================
+
+#pragma once
+
+#include <mesa_pd/domain/IDomain.h>
+
+namespace walberla {
+namespace mesa_pd {
+namespace domain {
+
+class InfiniteDomain : public IDomain
+{
+public:
+ bool isContainedInProcessSubdomain(const uint_t /*rank*/, const Vec3& /*pt*/) const override {return true;}
+ int findContainingProcessRank(const Vec3& /*pt*/) const override {return mpi::MPIManager::instance()->rank();}
+ void periodicallyMapToDomain(Vec3& /*pt*/) const override {}
+ std::vector<uint_t> getNeighborProcesses() const override {return {};}
+ bool intersectsWithProcessSubdomain(const uint_t rank, const Vec3& /*pt*/, const real_t& /*radius*/) const override
+ { return int_c(rank)==mpi::MPIManager::instance()->rank() ? true : false;}
+ void correctParticlePosition(Vec3& /*pt*/) const override {}
+};
+
+} //namespace domain
+} //namespace mesa_pd
+} //namespace walberla
diff --git a/src/mesa_pd/domain/InfoCollection.h b/src/mesa_pd/domain/InfoCollection.h
new file mode 100644
index 000000000..d247e65df
--- /dev/null
+++ b/src/mesa_pd/domain/InfoCollection.h
@@ -0,0 +1,119 @@
+//======================================================================================================================
+//
+// This file is part of waLBerla. waLBerla is free software: you can
+// redistribute it and/or modify it under the terms of the GNU General Public
+// License as published by the Free Software Foundation, either version 3 of
+// the License, or (at your option) any later version.
+//
+// waLBerla is distributed in the hope that it will be useful, but WITHOUT
+// ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
+// FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License
+// for more details.
+//
+// You should have received a copy of the GNU General Public License along
+// with waLBerla (see COPYING.txt). If not, see <http://www.gnu.org/licenses/>.
+//
+//! \file InfoCollection.h
+//! \author Sebastian Eibl <sebastian.eibl@fau.de>
+//
+//======================================================================================================================
+
+#pragma once
+
+#include <mesa_pd/data/ParticleStorage.h>
+
+#include <blockforest/BlockForest.h>
+#include <core/mpi/BufferSystem.h>
+#include <pe/amr/BlockInfo.h>
+#include <pe/amr/InfoCollection.h>
+
+namespace walberla {
+namespace mesa_pd {
+namespace domain {
+
+template <typename Accessor>
+void createWithNeighborhood(Accessor& ac, const BlockForest& bf, pe::InfoCollection& ic )
+{
+ ic.clear();
+
+ mpi::BufferSystem bs( MPIManager::instance()->comm(), 756 );
+
+ for (size_t idx = 0; idx < ac.size(); ++idx)
+ {
+ for (auto blockIt = bf.begin(); blockIt != bf.end(); ++blockIt)
+ {
+ const blockforest::Block* block = static_cast<const blockforest::Block*> (&(*blockIt));
+
+ pe::BlockInfo& info = ic[block->getId()];
+ if (block->getAABB().contains(ac.getPosition(idx)))
+ {
+ if (data::particle_flags::isSet( ac.getFlags(idx), data::particle_flags::GHOST))
+ {
+ ++info.communicationWeight;
+ } else
+ {
+ ++info.computationalWeight;
+ }
+
+ }
+
+ for (uint_t branchID = 0; branchID < 8; ++branchID)
+ {
+ const auto childID = BlockID(block->getId(), branchID);
+ const auto childAABB = bf.getAABBFromBlockId(childID);
+ pe::BlockInfo& childInfo = ic[childID];
+ if (childAABB.contains(ac.getPosition(idx)))
+ {
+ if (data::particle_flags::isSet( ac.getFlags(idx), data::particle_flags::GHOST))
+ {
+ ++childInfo.communicationWeight;
+ } else
+ {
+ ++childInfo.computationalWeight;
+ }
+ }
+ }
+ }
+ }
+
+ for (auto blockIt = bf.begin(); blockIt != bf.end(); ++blockIt)
+ {
+ const blockforest::Block* block = static_cast<const blockforest::Block*> (&(*blockIt));
+
+ pe::BlockInfo& info = ic[block->getId()];
+ for( uint_t nb = uint_t(0); nb < block->getNeighborhoodSize(); ++nb )
+ {
+ bs.sendBuffer( block->getNeighborProcess(nb) ) << pe::InfoCollection::value_type(block->getId(), info);
+ }
+
+ for (uint_t branchID = 0; branchID < 8; ++branchID)
+ {
+ const auto childID = BlockID(block->getId(), branchID);
+
+ pe::BlockInfo& childInfo = ic[childID];
+
+ for( uint_t nb = uint_t(0); nb < block->getNeighborhoodSize(); ++nb )
+ {
+ bs.sendBuffer( block->getNeighborProcess(nb) ) << pe::InfoCollection::value_type(childID, childInfo);
+ }
+ }
+ }
+
+ // size of buffer is unknown and changes with each send
+ bs.setReceiverInfoFromSendBufferState(false, true);
+ bs.sendAll();
+
+ for( auto recvIt = bs.begin(); recvIt != bs.end(); ++recvIt )
+ {
+ while( !recvIt.buffer().isEmpty() )
+ {
+ pe::InfoCollectionPair val;
+ recvIt.buffer() >> val;
+ ic.insert(val);
+ }
+ }
+}
+
+} //namespace domain
+} //namespace mesa_pd
+} //namespace walberla
diff --git a/src/mesa_pd/kernel/DoubleCast.h b/src/mesa_pd/kernel/DoubleCast.h
new file mode 100644
index 000000000..4d0b09ab6
--- /dev/null
+++ b/src/mesa_pd/kernel/DoubleCast.h
@@ -0,0 +1,102 @@
+//======================================================================================================================
+//
+// This file is part of waLBerla. waLBerla is free software: you can
+// redistribute it and/or modify it under the terms of the GNU General Public
+// License as published by the Free Software Foundation, either version 3 of
+// the License, or (at your option) any later version.
+//
+// waLBerla is distributed in the hope that it will be useful, but WITHOUT
+// ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
+// FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License
+// for more details.
+//
+// You should have received a copy of the GNU General Public License along
+// with waLBerla (see COPYING.txt). If not, see <http://www.gnu.org/licenses/>.
+//
+//! \file SingleCast.h
+//! \author Sebastian Eibl <sebastian.eibl@fau.de>
+//
+//======================================================================================================================
+
+//======================================================================================================================
+//
+// THIS FILE IS GENERATED - PLEASE CHANGE THE TEMPLATE !!!
+//
+//======================================================================================================================
+
+#pragma once
+
+#include <mesa_pd/data/DataTypes.h>
+#include <mesa_pd/data/IAccessor.h>
+#include <mesa_pd/data/shape/BaseShape.h>
+#include <mesa_pd/data/shape/Sphere.h>
+#include <mesa_pd/data/shape/HalfSpace.h>
+
+#include <core/Abort.h>
+#include <core/debug/Debug.h>
+
+namespace walberla {
+namespace mesa_pd {
+namespace kernel {
+
+/**
+ * This kernel requires the following particle accessor interface
+ * \code
+ * const BaseShape*& getShape(const size_t p_idx) const;
+ *
+ * \endcode
+ * \ingroup mesa_pd_kernel
+ */
+class DoubleCast
+{
+public:
+ template <typename Accessor, typename func, typename... Args>
+ auto operator()( size_t idx, size_t idy, Accessor& ac, func& f, Args&&... args );
+};
+
+template <typename Accessor, typename func, typename... Args>
+auto DoubleCast::operator()( size_t idx, size_t idy, Accessor& ac, func& f, Args&&... args )
+{
+ static_assert(std::is_base_of<data::IAccessor, Accessor>::value, "please provide a valid accessor");
+
+ using namespace mesa_pd::data;
+
+ switch (ac.getShape(idx)->getShapeType())
+ {
+ case Sphere::SHAPE_TYPE :
+ switch (ac.getShape(idy)->getShapeType())
+ {
+ case Sphere::SHAPE_TYPE : return f(idx,
+ idy,
+ *static_cast<Sphere*>(ac.getShape(idx)),
+ *static_cast<Sphere*>(ac.getShape(idy)),
+ std::forward<Args>(args)...);
+ case HalfSpace::SHAPE_TYPE : return f(idx,
+ idy,
+ *static_cast<Sphere*>(ac.getShape(idx)),
+ *static_cast<HalfSpace*>(ac.getShape(idy)),
+ std::forward<Args>(args)...);
+ default : WALBERLA_ABORT("Shape type (" << ac.getShape(idy)->getShapeType() << ") could not be determined!");
+ }
+ case HalfSpace::SHAPE_TYPE :
+ switch (ac.getShape(idy)->getShapeType())
+ {
+ case Sphere::SHAPE_TYPE : return f(idx,
+ idy,
+ *static_cast<HalfSpace*>(ac.getShape(idx)),
+ *static_cast<Sphere*>(ac.getShape(idy)),
+ std::forward<Args>(args)...);
+ case HalfSpace::SHAPE_TYPE : return f(idx,
+ idy,
+ *static_cast<HalfSpace*>(ac.getShape(idx)),
+ *static_cast<HalfSpace*>(ac.getShape(idy)),
+ std::forward<Args>(args)...);
+ default : WALBERLA_ABORT("Shape type (" << ac.getShape(idy)->getShapeType() << ") could not be determined!");
+ }
+ default : WALBERLA_ABORT("Shape type (" << ac.getShape(idx)->getShapeType() << ") could not be determined!");
+ }
+}
+
+} //namespace kernel
+} //namespace mesa_pd
+} //namespace walberla
\ No newline at end of file
diff --git a/src/mesa_pd/kernel/ExplicitEuler.h b/src/mesa_pd/kernel/ExplicitEuler.h
new file mode 100644
index 000000000..47e93bc62
--- /dev/null
+++ b/src/mesa_pd/kernel/ExplicitEuler.h
@@ -0,0 +1,88 @@
+//======================================================================================================================
+//
+// This file is part of waLBerla. waLBerla is free software: you can
+// redistribute it and/or modify it under the terms of the GNU General Public
+// License as published by the Free Software Foundation, either version 3 of
+// the License, or (at your option) any later version.
+//
+// waLBerla is distributed in the hope that it will be useful, but WITHOUT
+// ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
+// FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License
+// for more details.
+//
+// You should have received a copy of the GNU General Public License along
+// with waLBerla (see COPYING.txt). If not, see <http://www.gnu.org/licenses/>.
+//
+//! \file ExplicitEuler.h
+//! \author Sebastian Eibl <sebastian.eibl@fau.de>
+//
+//======================================================================================================================
+
+//======================================================================================================================
+//
+// THIS FILE IS GENERATED - PLEASE CHANGE THE TEMPLATE !!!
+//
+//======================================================================================================================
+
+#pragma once
+
+#include <mesa_pd/data/DataTypes.h>
+#include <mesa_pd/data/IAccessor.h>
+
+namespace walberla {
+namespace mesa_pd {
+namespace kernel {
+
+/**
+ * Kernel which explicitly integrates all particles in time.
+ * This integrator integrates velocity and position.
+ *
+ * This kernel requires the following particle accessor interface
+ * \code
+ * const walberla::mesa_pd::Vec3& getPosition(const size_t p_idx) const;
+ * void setPosition(const size_t p_idx, const walberla::mesa_pd::Vec3& v);
+ *
+ * const walberla::mesa_pd::Vec3& getLinearVelocity(const size_t p_idx) const;
+ * void setLinearVelocity(const size_t p_idx, const walberla::mesa_pd::Vec3& v);
+ *
+ * const walberla::real_t& getInvMass(const size_t p_idx) const;
+ *
+ * const walberla::mesa_pd::Vec3& getForce(const size_t p_idx) const;
+ * void setForce(const size_t p_idx, const walberla::mesa_pd::Vec3& v);
+ *
+ * const walberla::mesa_pd::data::particle_flags::FlagT& getFlags(const size_t p_idx) const;
+ *
+ * \endcode
+ *
+ * \pre All forces acting on the particles have to be set.
+ * \post All forces are reset to 0.
+ * \ingroup mesa_pd_kernel
+ */
+class ExplicitEuler
+{
+public:
+ explicit ExplicitEuler(const real_t dt) : dt_(dt) {}
+
+ template <typename Accessor>
+ void operator()(const size_t i, Accessor& ac) const;
+private:
+ real_t dt_ = real_t(0.0);
+};
+
+template <typename Accessor>
+inline void ExplicitEuler::operator()(const size_t idx,
+ Accessor& ac) const
+{
+ static_assert(std::is_base_of<data::IAccessor, Accessor>::value, "please provide a valid accessor");
+
+ if (!data::particle_flags::isSet( ac.getFlags(idx), data::particle_flags::FIXED))
+ {
+ ac.setPosition (idx, ac.getInvMass(idx) * ac.getForce(idx) * dt_ * dt_ + ac.getLinearVelocity(idx) * dt_ + ac.getPosition(idx));
+ ac.setLinearVelocity(idx, ac.getInvMass(idx) * ac.getForce(idx) * dt_ + ac.getLinearVelocity(idx));
+ }
+ ac.setForce (idx, Vec3(real_t(0), real_t(0), real_t(0)));
+}
+
+} //namespace kernel
+} //namespace mesa_pd
+} //namespace walberla
\ No newline at end of file
diff --git a/src/mesa_pd/kernel/ExplicitEulerWithShape.h b/src/mesa_pd/kernel/ExplicitEulerWithShape.h
new file mode 100644
index 000000000..6746d156e
--- /dev/null
+++ b/src/mesa_pd/kernel/ExplicitEulerWithShape.h
@@ -0,0 +1,114 @@
+//======================================================================================================================
+//
+// This file is part of waLBerla. waLBerla is free software: you can
+// redistribute it and/or modify it under the terms of the GNU General Public
+// License as published by the Free Software Foundation, either version 3 of
+// the License, or (at your option) any later version.
+//
+// waLBerla is distributed in the hope that it will be useful, but WITHOUT
+// ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
+// FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License
+// for more details.
+//
+// You should have received a copy of the GNU General Public License along
+// with waLBerla (see COPYING.txt). If not, see <http://www.gnu.org/licenses/>.
+//
+//! \file ExplicitEulerWithShape.h
+//! \author Sebastian Eibl <sebastian.eibl@fau.de>
+//
+//======================================================================================================================
+
+//======================================================================================================================
+//
+// THIS FILE IS GENERATED - PLEASE CHANGE THE TEMPLATE !!!
+//
+//======================================================================================================================
+
+#pragma once
+
+#include <mesa_pd/data/DataTypes.h>
+#include <mesa_pd/data/IAccessor.h>
+
+namespace walberla {
+namespace mesa_pd {
+namespace kernel {
+
+/**
+ * Kernel which explicitly integrates all particles in time.
+ * This integrator integrates velocity and position as well as angular velocity and rotation.
+ *
+ * This kernel requires the following particle accessor interface
+ * \code
+ * const walberla::mesa_pd::Vec3& getPosition(const size_t p_idx) const;
+ * void setPosition(const size_t p_idx, const walberla::mesa_pd::Vec3& v);
+ *
+ * const walberla::mesa_pd::Vec3& getLinearVelocity(const size_t p_idx) const;
+ * void setLinearVelocity(const size_t p_idx, const walberla::mesa_pd::Vec3& v);
+ *
+ * const walberla::real_t& getInvMass(const size_t p_idx) const;
+ *
+ * const walberla::mesa_pd::Vec3& getForce(const size_t p_idx) const;
+ * void setForce(const size_t p_idx, const walberla::mesa_pd::Vec3& v);
+ *
+ * const walberla::mesa_pd::Rot3& getRotation(const size_t p_idx) const;
+ * void setRotation(const size_t p_idx, const walberla::mesa_pd::Rot3& v);
+ *
+ * const walberla::mesa_pd::Vec3& getAngularVelocity(const size_t p_idx) const;
+ * void setAngularVelocity(const size_t p_idx, const walberla::mesa_pd::Vec3& v);
+ *
+ * const walberla::mesa_pd::Mat3& getInvInertiaBF(const size_t p_idx) const;
+ *
+ * const walberla::mesa_pd::Vec3& getTorque(const size_t p_idx) const;
+ * void setTorque(const size_t p_idx, const walberla::mesa_pd::Vec3& v);
+ *
+ * const walberla::mesa_pd::data::particle_flags::FlagT& getFlags(const size_t p_idx) const;
+ *
+ * \endcode
+ *
+ * \pre All forces and torques acting on the particles have to be set.
+ * \post All forces and torques are reset to 0.
+ * \ingroup mesa_pd_kernel
+ */
+class ExplicitEulerWithShape
+{
+public:
+ explicit ExplicitEulerWithShape(const real_t dt) : dt_(dt) {}
+
+ template <typename Accessor>
+ void operator()(const size_t i, Accessor& ac) const;
+private:
+ real_t dt_ = real_t(0.0);
+};
+
+template <typename Accessor>
+inline void ExplicitEulerWithShape::operator()(const size_t idx,
+ Accessor& ac) const
+{
+ static_assert(std::is_base_of<data::IAccessor, Accessor>::value, "please provide a valid accessor");
+
+ if (!data::particle_flags::isSet( ac.getFlags(idx), data::particle_flags::FIXED))
+ {
+ ac.setPosition (idx, ac.getInvMass(idx) * ac.getForce(idx) * dt_ * dt_ + ac.getLinearVelocity(idx) * dt_ + ac.getPosition(idx));
+ ac.setLinearVelocity(idx, ac.getInvMass(idx) * ac.getForce(idx) * dt_ + ac.getLinearVelocity(idx));
+
+ const Vec3 wdot = math::transformMatrixRART(ac.getRotation(idx).getMatrix(),
+ ac.getInvInertiaBF(idx)) * ac.getTorque(idx);
+
+ // Calculating the rotation angle
+ const Vec3 phi( ac.getAngularVelocity(idx) * dt_ + wdot * dt_ * dt_);
+
+ // Calculating the new orientation
+ auto rotation = ac.getRotation(idx);
+ rotation.rotate( phi );
+ ac.setRotation(idx, rotation);
+
+ ac.setAngularVelocity(idx, wdot * dt_ + ac.getAngularVelocity(idx));
+ }
+
+ ac.setForce (idx, Vec3(real_t(0), real_t(0), real_t(0)));
+ ac.setTorque(idx, Vec3(real_t(0), real_t(0), real_t(0)));
+}
+
+} //namespace kernel
+} //namespace mesa_pd
+} //namespace walberla
\ No newline at end of file
diff --git a/src/mesa_pd/kernel/ForceLJ.h b/src/mesa_pd/kernel/ForceLJ.h
new file mode 100644
index 000000000..dd40c699a
--- /dev/null
+++ b/src/mesa_pd/kernel/ForceLJ.h
@@ -0,0 +1,171 @@
+//======================================================================================================================
+//
+// This file is part of waLBerla. waLBerla is free software: you can
+// redistribute it and/or modify it under the terms of the GNU General Public
+// License as published by the Free Software Foundation, either version 3 of
+// the License, or (at your option) any later version.
+//
+// waLBerla is distributed in the hope that it will be useful, but WITHOUT
+// ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
+// FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License
+// for more details.
+//
+// You should have received a copy of the GNU General Public License along
+// with waLBerla (see COPYING.txt). If not, see <http://www.gnu.org/licenses/>.
+//
+//! \file ForceLJ.h
+//! \author Sebastian Eibl <sebastian.eibl@fau.de>
+//
+//======================================================================================================================
+
+//======================================================================================================================
+//
+// THIS FILE IS GENERATED - PLEASE CHANGE THE TEMPLATE !!!
+//
+//======================================================================================================================
+
+#pragma once
+
+#include <mesa_pd/data/DataTypes.h>
+#include <mesa_pd/data/IAccessor.h>
+
+#include <vector>
+
+namespace walberla {
+namespace mesa_pd {
+namespace kernel {
+
+/**
+ * Kernel which calculates the Lennard Jones froce between two particles.
+ *
+ * This kernel uses the type property of a particle to decide on the material parameters.
+ *
+ * This kernel requires the following particle accessor interface
+ * \code
+ * const walberla::mesa_pd::Vec3& getPosition(const size_t p_idx) const;
+ *
+ * walberla::mesa_pd::Vec3& getForceRef(const size_t p_idx);
+ *
+ * const uint_t& getType(const size_t p_idx) const;
+ *
+ * \endcode
+ * \ingroup mesa_pd_kernel
+ */
+class ForceLJ
+{
+public:
+ ForceLJ(const uint_t numParticleTypes);
+ ForceLJ(const ForceLJ& other) = default;
+ ForceLJ(ForceLJ&& other) = default;
+ ForceLJ& operator=(const ForceLJ& other) = default;
+ ForceLJ& operator=(ForceLJ&& other) = default;
+
+ template <typename Accessor>
+ void operator()(const size_t p_idx, const size_t np_idx, Accessor& ac) const;
+
+
+ /// assumes this parameter is symmetric
+ void setEpsilon(const size_t type1, const size_t type2, const real_t& val);
+ /// assumes this parameter is symmetric
+ void setSigma(const size_t type1, const size_t type2, const real_t& val);
+
+
+ real_t getEpsilon(const size_t type1, const size_t type2) const;
+ real_t getSigma(const size_t type1, const size_t type2) const;
+private:
+ uint_t numParticleTypes_;
+
+ std::vector<real_t> epsilon {};
+ std::vector<real_t> sigma {};
+};
+
+ForceLJ::ForceLJ(const uint_t numParticleTypes)
+{
+ numParticleTypes_ = numParticleTypes;
+
+ epsilon.resize(numParticleTypes * numParticleTypes, real_t(0));
+ sigma.resize(numParticleTypes * numParticleTypes, real_t(0));
+}
+
+
+inline void ForceLJ::setEpsilon(const size_t type1, const size_t type2, const real_t& val)
+{
+ WALBERLA_ASSERT_LESS( type1, numParticleTypes_ );
+ WALBERLA_ASSERT_LESS( type2, numParticleTypes_ );
+ epsilon[numParticleTypes_*type1 + type2] = val;
+ epsilon[numParticleTypes_*type2 + type1] = val;
+}
+inline void ForceLJ::setSigma(const size_t type1, const size_t type2, const real_t& val)
+{
+ WALBERLA_ASSERT_LESS( type1, numParticleTypes_ );
+ WALBERLA_ASSERT_LESS( type2, numParticleTypes_ );
+ sigma[numParticleTypes_*type1 + type2] = val;
+ sigma[numParticleTypes_*type2 + type1] = val;
+}
+
+
+inline real_t ForceLJ::getEpsilon(const size_t type1, const size_t type2) const
+{
+ WALBERLA_ASSERT_LESS( type1, numParticleTypes_ );
+ WALBERLA_ASSERT_LESS( type2, numParticleTypes_ );
+ WALBERLA_ASSERT_FLOAT_EQUAL( epsilon[numParticleTypes_*type1 + type2],
+ epsilon[numParticleTypes_*type2 + type1],
+ "parameter matrix for epsilon not symmetric!");
+ return epsilon[numParticleTypes_*type1 + type2];
+}
+inline real_t ForceLJ::getSigma(const size_t type1, const size_t type2) const
+{
+ WALBERLA_ASSERT_LESS( type1, numParticleTypes_ );
+ WALBERLA_ASSERT_LESS( type2, numParticleTypes_ );
+ WALBERLA_ASSERT_FLOAT_EQUAL( sigma[numParticleTypes_*type1 + type2],
+ sigma[numParticleTypes_*type2 + type1],
+ "parameter matrix for sigma not symmetric!");
+ return sigma[numParticleTypes_*type1 + type2];
+}
+
+template <typename Accessor>
+inline void ForceLJ::operator()(const size_t p_idx, const size_t np_idx, Accessor& ac) const
+{
+ static_assert(std::is_base_of<data::IAccessor, Accessor>::value, "please provide a valid accessor");
+
+ if (p_idx != np_idx)
+ {
+ Vec3 dir = ac.getPosition(p_idx) - ac.getPosition(np_idx);
+ const real_t rsq = sqrLength(dir);
+ const real_t sr2 = real_t(1.0) / rsq;
+ const real_t sr2sigma = sr2 * getSigma(ac.getType(p_idx), ac.getType(np_idx)) * getSigma(ac.getType(p_idx), ac.getType(np_idx));
+ const real_t sr6 = sr2sigma * sr2sigma * sr2sigma;
+ const real_t force = real_t(48) * sr6 * ( sr6 - real_t(0.5) ) * sr2 * getEpsilon(ac.getType(p_idx), ac.getType(np_idx));
+ const Vec3 f = force * dir;
+
+#ifdef _OPENMP
+#pragma omp atomic
+#endif
+ ac.getForceRef(p_idx)[0] += f[0];
+#ifdef _OPENMP
+#pragma omp atomic
+#endif
+ ac.getForceRef(p_idx)[1] += f[1];
+#ifdef _OPENMP
+#pragma omp atomic
+#endif
+ ac.getForceRef(p_idx)[2] += f[2];
+
+#ifdef _OPENMP
+#pragma omp atomic
+#endif
+ ac.getForceRef(np_idx)[0] -= f[0];
+#ifdef _OPENMP
+#pragma omp atomic
+#endif
+ ac.getForceRef(np_idx)[1] -= f[1];
+#ifdef _OPENMP
+#pragma omp atomic
+#endif
+ ac.getForceRef(np_idx)[2] -= f[2];
+ }
+}
+
+} //namespace kernel
+} //namespace mesa_pd
+} //namespace walberla
\ No newline at end of file
diff --git a/src/mesa_pd/kernel/HeatConduction.h b/src/mesa_pd/kernel/HeatConduction.h
new file mode 100644
index 000000000..12826c523
--- /dev/null
+++ b/src/mesa_pd/kernel/HeatConduction.h
@@ -0,0 +1,128 @@
+//======================================================================================================================
+//
+// This file is part of waLBerla. waLBerla is free software: you can
+// redistribute it and/or modify it under the terms of the GNU General Public
+// License as published by the Free Software Foundation, either version 3 of
+// the License, or (at your option) any later version.
+//
+// waLBerla is distributed in the hope that it will be useful, but WITHOUT
+// ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
+// FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License
+// for more details.
+//
+// You should have received a copy of the GNU General Public License along
+// with waLBerla (see COPYING.txt). If not, see <http://www.gnu.org/licenses/>.
+//
+//! \file HeatConduction.h
+//! \author Sebastian Eibl <sebastian.eibl@fau.de>
+//
+//======================================================================================================================
+
+//======================================================================================================================
+//
+// THIS FILE IS GENERATED - PLEASE CHANGE THE TEMPLATE !!!
+//
+//======================================================================================================================
+
+#pragma once
+
+#include <mesa_pd/common/ParticleFunctions.h>
+#include <mesa_pd/data/DataTypes.h>
+#include <mesa_pd/data/IAccessor.h>
+
+#include <core/math/Constants.h>
+#include <vector>
+
+namespace walberla {
+namespace mesa_pd {
+namespace kernel {
+
+/**
+ * Basic DEM kernel
+ *
+ * This DEM kernel supports spring&dashpot in normal direction as well as friction in tangential direction.
+ *
+ * \code
+ * const walberla::real_t& getTemperature(const size_t p_idx) const;
+ *
+ * const walberla::real_t& getHeatFlux(const size_t p_idx) const;
+ * void setHeatFlux(const size_t p_idx, const walberla::real_t& v);
+ * walberla::real_t& getHeatFluxRef(const size_t p_idx);
+ *
+ * const uint_t& getType(const size_t p_idx) const;
+ *
+ * \endcode
+ * \ingroup mesa_pd_kernel
+ */
+class HeatConduction
+{
+public:
+ HeatConduction(const uint_t numParticleTypes);
+ HeatConduction(const HeatConduction& other) = default;
+ HeatConduction(HeatConduction&& other) = default;
+ HeatConduction& operator=(const HeatConduction& other) = default;
+ HeatConduction& operator=(HeatConduction&& other) = default;
+
+ template <typename Accessor>
+ void operator()(const size_t p_idx1,
+ const size_t p_idx2,
+ Accessor& ac) const;
+
+
+ /// assumes this parameter is symmetric
+ void setConductance(const size_t type1, const size_t type2, const real_t& val);
+
+
+ real_t getConductance(const size_t type1, const size_t type2) const;
+
+private:
+ uint_t numParticleTypes_;
+
+ std::vector<real_t> conductance_ {};
+};
+
+HeatConduction::HeatConduction(const uint_t numParticleTypes)
+{
+ numParticleTypes_ = numParticleTypes;
+
+ conductance_.resize(numParticleTypes * numParticleTypes, real_t(0));
+}
+
+
+inline void HeatConduction::setConductance(const size_t type1, const size_t type2, const real_t& val)
+{
+ WALBERLA_ASSERT_LESS( type1, numParticleTypes_ );
+ WALBERLA_ASSERT_LESS( type2, numParticleTypes_ );
+ conductance_[numParticleTypes_*type1 + type2] = val;
+ conductance_[numParticleTypes_*type2 + type1] = val;
+}
+
+
+inline real_t HeatConduction::getConductance(const size_t type1, const size_t type2) const
+{
+ WALBERLA_ASSERT_LESS( type1, numParticleTypes_ );
+ WALBERLA_ASSERT_LESS( type2, numParticleTypes_ );
+ WALBERLA_ASSERT_FLOAT_EQUAL( conductance_[numParticleTypes_*type1 + type2],
+ conductance_[numParticleTypes_*type2 + type1],
+ "parameter matrix for conductance not symmetric!");
+ return conductance_[numParticleTypes_*type1 + type2];
+}
+
+template <typename Accessor>
+inline void HeatConduction::operator()(const size_t p_idx1,
+ const size_t p_idx2,
+ Accessor& ac) const
+{
+ static_assert(std::is_base_of<data::IAccessor, Accessor>::value, "please provide a valid accessor");
+
+ if (p_idx1 != p_idx2)
+ {
+ auto deltaT = ac.getTemperature(p_idx1) - ac.getTemperature(p_idx2);
+ ac.getHeatFluxRef(p_idx1) -= deltaT * getConductance(ac.getType(p_idx1), ac.getType(p_idx2));
+ ac.getHeatFluxRef(p_idx2) += deltaT * getConductance(ac.getType(p_idx1), ac.getType(p_idx2));
+ }
+}
+
+} //namespace kernel
+} //namespace mesa_pd
+} //namespace walberla
\ No newline at end of file
diff --git a/src/mesa_pd/kernel/InsertParticleIntoLinkedCells.h b/src/mesa_pd/kernel/InsertParticleIntoLinkedCells.h
new file mode 100644
index 000000000..8ec5b660a
--- /dev/null
+++ b/src/mesa_pd/kernel/InsertParticleIntoLinkedCells.h
@@ -0,0 +1,91 @@
+//======================================================================================================================
+//
+// This file is part of waLBerla. waLBerla is free software: you can
+// redistribute it and/or modify it under the terms of the GNU General Public
+// License as published by the Free Software Foundation, either version 3 of
+// the License, or (at your option) any later version.
+//
+// waLBerla is distributed in the hope that it will be useful, but WITHOUT
+// ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
+// FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License
+// for more details.
+//
+// You should have received a copy of the GNU General Public License along
+// with waLBerla (see COPYING.txt). If not, see <http://www.gnu.org/licenses/>.
+//
+//! \file InsertParticleIntoLinkedCells.h
+//! \author Sebastian Eibl <sebastian.eibl@fau.de>
+//
+//======================================================================================================================
+
+//======================================================================================================================
+//
+// THIS FILE IS GENERATED - PLEASE CHANGE THE TEMPLATE !!!
+//
+//======================================================================================================================
+
+#pragma once
+
+#include <mesa_pd/data/DataTypes.h>
+#include <mesa_pd/data/IAccessor.h>
+#include <mesa_pd/data/LinkedCells.h>
+
+#include <vector>
+
+namespace walberla {
+namespace mesa_pd {
+namespace kernel {
+
+/**
+ * Inserts a particle into the data::LinkedCells data structure
+ *
+ * \attention Make sure to data::LinkedCells::clear() the data structure before
+ * reinserting new particles.
+ *
+ * This kernel requires the following particle accessor interface
+ * \code
+ * const walberla::mesa_pd::Vec3& getPosition(const size_t p_idx) const;
+ *
+ * const walberla::mesa_pd::data::particle_flags::FlagT& getFlags(const size_t p_idx) const;
+ *
+ * const size_t& getNextParticle(const size_t p_idx) const;
+ * void setNextParticle(const size_t p_idx, const size_t& v);
+ *
+ * \endcode
+ * \ingroup mesa_pd_kernel
+ */
+class InsertParticleIntoLinkedCells
+{
+public:
+ template <typename Accessor>
+ void operator()(const size_t p_idx, Accessor& ac, data::LinkedCells& lc) const;
+};
+
+template <typename Accessor>
+inline void InsertParticleIntoLinkedCells::operator()(const size_t p_idx, Accessor& ac, data::LinkedCells& lc) const
+{
+ static_assert(std::is_base_of<data::IAccessor, Accessor>::value, "please provide a valid accessor");
+
+ const auto& minCorner = lc.domain_.minCorner();
+ if (data::particle_flags::isSet(ac.getFlags(p_idx), data::particle_flags::INFINITE))
+ {
+ ac.setNextParticle(p_idx, lc.infiniteParticles_.exchange(int_c(p_idx)));
+ } else
+ {
+ int hash0 = static_cast<int>(std::floor((ac.getPosition(p_idx)[0] - minCorner[0]) * lc.invCellDiameter_[0]));
+ int hash1 = static_cast<int>(std::floor((ac.getPosition(p_idx)[1] - minCorner[1]) * lc.invCellDiameter_[1]));
+ int hash2 = static_cast<int>(std::floor((ac.getPosition(p_idx)[2] - minCorner[2]) * lc.invCellDiameter_[2]));
+ if (hash0 < 0) hash0 = 0;
+ if (hash0 >= lc.numCellsPerDim_[0]) hash0 = lc.numCellsPerDim_[0] - 1;
+ if (hash1 < 0) hash1 = 0;
+ if (hash1 >= lc.numCellsPerDim_[1]) hash1 = lc.numCellsPerDim_[1] - 1;
+ if (hash2 < 0) hash2 = 0;
+ if (hash2 >= lc.numCellsPerDim_[2]) hash2 = lc.numCellsPerDim_[2] - 1;
+ int cell_idx = getCellIdx(lc, hash0, hash1, hash2);
+ ac.setNextParticle(p_idx, lc.cells_[uint_c(cell_idx)].exchange(int_c(p_idx)));
+ }
+}
+
+} //namespace kernel
+} //namespace mesa_pd
+} //namespace walberla
\ No newline at end of file
diff --git a/src/mesa_pd/kernel/LinearSpringDashpot.h b/src/mesa_pd/kernel/LinearSpringDashpot.h
new file mode 100644
index 000000000..5239f29b6
--- /dev/null
+++ b/src/mesa_pd/kernel/LinearSpringDashpot.h
@@ -0,0 +1,357 @@
+//======================================================================================================================
+//
+// This file is part of waLBerla. waLBerla is free software: you can
+// redistribute it and/or modify it under the terms of the GNU General Public
+// License as published by the Free Software Foundation, either version 3 of
+// the License, or (at your option) any later version.
+//
+// waLBerla is distributed in the hope that it will be useful, but WITHOUT
+// ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
+// FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License
+// for more details.
+//
+// You should have received a copy of the GNU General Public License along
+// with waLBerla (see COPYING.txt). If not, see <http://www.gnu.org/licenses/>.
+//
+//! \file LinearSpringDashpot.h
+//! \author Sebastian Eibl <sebastian.eibl@fau.de>
+//! \author Christoph Rettinger <christoph.rettinger@fau.de>
+//
+//======================================================================================================================
+
+//======================================================================================================================
+//
+// THIS FILE IS GENERATED - PLEASE CHANGE THE TEMPLATE !!!
+//
+//======================================================================================================================
+
+#pragma once
+
+#include <mesa_pd/common/ParticleFunctions.h>
+#include <mesa_pd/data/DataTypes.h>
+#include <mesa_pd/data/IAccessor.h>
+
+#include <core/logging/Logging.h>
+
+#include <vector>
+
+namespace walberla {
+namespace mesa_pd {
+namespace kernel {
+
+/**
+ * Advanced DEM kernel
+ *
+ * This model is a linearized version of
+ * Edward Biegert, Bernhard Vowinckel, Eckart Meiburg
+ * A collision model for grain-resolving simulations of flows over dense, mobile, polydisperse granular sediment beds
+ * https://doi.org/10.1016/j.jcp.2017.03.035
+ *
+ * \code
+ * const walberla::id_t& getUid(const size_t p_idx) const;
+ *
+ * const walberla::mesa_pd::Vec3& getPosition(const size_t p_idx) const;
+ *
+ * const walberla::mesa_pd::Vec3& getLinearVelocity(const size_t p_idx) const;
+ *
+ * walberla::mesa_pd::Vec3& getForceRef(const size_t p_idx);
+ *
+ * const walberla::mesa_pd::Vec3& getAngularVelocity(const size_t p_idx) const;
+ *
+ * walberla::mesa_pd::Vec3& getTorqueRef(const size_t p_idx);
+ *
+ * const uint_t& getType(const size_t p_idx) const;
+ *
+ * const std::map<walberla::id_t, walberla::mesa_pd::Vec3>& getContactHistory(const size_t p_idx) const;
+ * void setContactHistory(const size_t p_idx, const std::map<walberla::id_t, walberla::mesa_pd::Vec3>& v);
+ *
+ * \endcode
+ * \ingroup mesa_pd_kernel
+ */
+class LinearSpringDashpot
+{
+public:
+ LinearSpringDashpot(const uint_t numParticleTypes);
+ LinearSpringDashpot(const LinearSpringDashpot& other) = default;
+ LinearSpringDashpot(LinearSpringDashpot&& other) = default;
+ LinearSpringDashpot& operator=(const LinearSpringDashpot& other) = default;
+ LinearSpringDashpot& operator=(LinearSpringDashpot&& other) = default;
+
+ template <typename Accessor>
+ void operator()(const size_t p_idx1,
+ const size_t p_idx2,
+ Accessor& ac,
+ const Vec3& contactPoint,
+ const Vec3& contactNormal,
+ const real_t& penetrationDepth,
+ const real_t& dt) const;
+
+
+ /// assumes this parameter is symmetric
+ void setStiffnessN(const size_t type1, const size_t type2, const real_t& val);
+ /// assumes this parameter is symmetric
+ void setStiffnessT(const size_t type1, const size_t type2, const real_t& val);
+ /// assumes this parameter is symmetric
+ void setDampingN(const size_t type1, const size_t type2, const real_t& val);
+ /// assumes this parameter is symmetric
+ void setDampingT(const size_t type1, const size_t type2, const real_t& val);
+ /// assumes this parameter is symmetric
+ void setFrictionCoefficientStatic(const size_t type1, const size_t type2, const real_t& val);
+ /// assumes this parameter is symmetric
+ void setFrictionCoefficientDynamic(const size_t type1, const size_t type2, const real_t& val);
+
+
+ real_t getStiffnessN(const size_t type1, const size_t type2) const;
+ real_t getStiffnessT(const size_t type1, const size_t type2) const;
+ real_t getDampingN(const size_t type1, const size_t type2) const;
+ real_t getDampingT(const size_t type1, const size_t type2) const;
+ real_t getFrictionCoefficientStatic(const size_t type1, const size_t type2) const;
+ real_t getFrictionCoefficientDynamic(const size_t type1, const size_t type2) const;
+private:
+ uint_t numParticleTypes_;
+
+ std::vector<real_t> stiffnessN_ {};
+ std::vector<real_t> stiffnessT_ {};
+ std::vector<real_t> dampingN_ {};
+ std::vector<real_t> dampingT_ {};
+ std::vector<real_t> frictionCoefficientStatic_ {};
+ std::vector<real_t> frictionCoefficientDynamic_ {};
+};
+
+LinearSpringDashpot::LinearSpringDashpot(const uint_t numParticleTypes)
+{
+ numParticleTypes_ = numParticleTypes;
+
+ stiffnessN_.resize(numParticleTypes * numParticleTypes, real_t(0));
+ stiffnessT_.resize(numParticleTypes * numParticleTypes, real_t(0));
+ dampingN_.resize(numParticleTypes * numParticleTypes, real_t(0));
+ dampingT_.resize(numParticleTypes * numParticleTypes, real_t(0));
+ frictionCoefficientStatic_.resize(numParticleTypes * numParticleTypes, real_t(0));
+ frictionCoefficientDynamic_.resize(numParticleTypes * numParticleTypes, real_t(0));
+}
+
+
+inline void LinearSpringDashpot::setStiffnessN(const size_t type1, const size_t type2, const real_t& val)
+{
+ WALBERLA_ASSERT_LESS( type1, numParticleTypes_ );
+ WALBERLA_ASSERT_LESS( type2, numParticleTypes_ );
+ stiffnessN_[numParticleTypes_*type1 + type2] = val;
+ stiffnessN_[numParticleTypes_*type2 + type1] = val;
+}
+inline void LinearSpringDashpot::setStiffnessT(const size_t type1, const size_t type2, const real_t& val)
+{
+ WALBERLA_ASSERT_LESS( type1, numParticleTypes_ );
+ WALBERLA_ASSERT_LESS( type2, numParticleTypes_ );
+ stiffnessT_[numParticleTypes_*type1 + type2] = val;
+ stiffnessT_[numParticleTypes_*type2 + type1] = val;
+}
+inline void LinearSpringDashpot::setDampingN(const size_t type1, const size_t type2, const real_t& val)
+{
+ WALBERLA_ASSERT_LESS( type1, numParticleTypes_ );
+ WALBERLA_ASSERT_LESS( type2, numParticleTypes_ );
+ dampingN_[numParticleTypes_*type1 + type2] = val;
+ dampingN_[numParticleTypes_*type2 + type1] = val;
+}
+inline void LinearSpringDashpot::setDampingT(const size_t type1, const size_t type2, const real_t& val)
+{
+ WALBERLA_ASSERT_LESS( type1, numParticleTypes_ );
+ WALBERLA_ASSERT_LESS( type2, numParticleTypes_ );
+ dampingT_[numParticleTypes_*type1 + type2] = val;
+ dampingT_[numParticleTypes_*type2 + type1] = val;
+}
+inline void LinearSpringDashpot::setFrictionCoefficientStatic(const size_t type1, const size_t type2, const real_t& val)
+{
+ WALBERLA_ASSERT_LESS( type1, numParticleTypes_ );
+ WALBERLA_ASSERT_LESS( type2, numParticleTypes_ );
+ frictionCoefficientStatic_[numParticleTypes_*type1 + type2] = val;
+ frictionCoefficientStatic_[numParticleTypes_*type2 + type1] = val;
+}
+inline void LinearSpringDashpot::setFrictionCoefficientDynamic(const size_t type1, const size_t type2, const real_t& val)
+{
+ WALBERLA_ASSERT_LESS( type1, numParticleTypes_ );
+ WALBERLA_ASSERT_LESS( type2, numParticleTypes_ );
+ frictionCoefficientDynamic_[numParticleTypes_*type1 + type2] = val;
+ frictionCoefficientDynamic_[numParticleTypes_*type2 + type1] = val;
+}
+
+
+inline real_t LinearSpringDashpot::getStiffnessN(const size_t type1, const size_t type2) const
+{
+ WALBERLA_ASSERT_LESS( type1, numParticleTypes_ );
+ WALBERLA_ASSERT_LESS( type2, numParticleTypes_ );
+ WALBERLA_ASSERT_FLOAT_EQUAL( stiffnessN_[numParticleTypes_*type1 + type2],
+ stiffnessN_[numParticleTypes_*type2 + type1],
+ "parameter matrix for stiffnessN not symmetric!");
+ return stiffnessN_[numParticleTypes_*type1 + type2];
+}
+inline real_t LinearSpringDashpot::getStiffnessT(const size_t type1, const size_t type2) const
+{
+ WALBERLA_ASSERT_LESS( type1, numParticleTypes_ );
+ WALBERLA_ASSERT_LESS( type2, numParticleTypes_ );
+ WALBERLA_ASSERT_FLOAT_EQUAL( stiffnessT_[numParticleTypes_*type1 + type2],
+ stiffnessT_[numParticleTypes_*type2 + type1],
+ "parameter matrix for stiffnessT not symmetric!");
+ return stiffnessT_[numParticleTypes_*type1 + type2];
+}
+inline real_t LinearSpringDashpot::getDampingN(const size_t type1, const size_t type2) const
+{
+ WALBERLA_ASSERT_LESS( type1, numParticleTypes_ );
+ WALBERLA_ASSERT_LESS( type2, numParticleTypes_ );
+ WALBERLA_ASSERT_FLOAT_EQUAL( dampingN_[numParticleTypes_*type1 + type2],
+ dampingN_[numParticleTypes_*type2 + type1],
+ "parameter matrix for dampingN not symmetric!");
+ return dampingN_[numParticleTypes_*type1 + type2];
+}
+inline real_t LinearSpringDashpot::getDampingT(const size_t type1, const size_t type2) const
+{
+ WALBERLA_ASSERT_LESS( type1, numParticleTypes_ );
+ WALBERLA_ASSERT_LESS( type2, numParticleTypes_ );
+ WALBERLA_ASSERT_FLOAT_EQUAL( dampingT_[numParticleTypes_*type1 + type2],
+ dampingT_[numParticleTypes_*type2 + type1],
+ "parameter matrix for dampingT not symmetric!");
+ return dampingT_[numParticleTypes_*type1 + type2];
+}
+inline real_t LinearSpringDashpot::getFrictionCoefficientStatic(const size_t type1, const size_t type2) const
+{
+ WALBERLA_ASSERT_LESS( type1, numParticleTypes_ );
+ WALBERLA_ASSERT_LESS( type2, numParticleTypes_ );
+ WALBERLA_ASSERT_FLOAT_EQUAL( frictionCoefficientStatic_[numParticleTypes_*type1 + type2],
+ frictionCoefficientStatic_[numParticleTypes_*type2 + type1],
+ "parameter matrix for frictionCoefficientStatic not symmetric!");
+ return frictionCoefficientStatic_[numParticleTypes_*type1 + type2];
+}
+inline real_t LinearSpringDashpot::getFrictionCoefficientDynamic(const size_t type1, const size_t type2) const
+{
+ WALBERLA_ASSERT_LESS( type1, numParticleTypes_ );
+ WALBERLA_ASSERT_LESS( type2, numParticleTypes_ );
+ WALBERLA_ASSERT_FLOAT_EQUAL( frictionCoefficientDynamic_[numParticleTypes_*type1 + type2],
+ frictionCoefficientDynamic_[numParticleTypes_*type2 + type1],
+ "parameter matrix for frictionCoefficientDynamic not symmetric!");
+ return frictionCoefficientDynamic_[numParticleTypes_*type1 + type2];
+}
+
+template <typename Accessor>
+inline void LinearSpringDashpot::operator()(const size_t p_idx1,
+ const size_t p_idx2,
+ Accessor& ac,
+ const Vec3& contactPoint,
+ const Vec3& contactNormal,
+ const real_t& penetrationDepth,
+ const real_t& dt) const
+{
+ static_assert(std::is_base_of<data::IAccessor, Accessor>::value, "please provide a valid accessor");
+
+ if (p_idx1 != p_idx2)
+ {
+
+ WALBERLA_ASSERT_FLOAT_EQUAL(math::sqrLength(contactNormal), real_t(1));
+
+ real_t delta = -penetrationDepth;
+ if (delta < real_t(0)) return;
+
+
+ const Vec3 relVel ( -(getVelocityAtWFPoint(p_idx1, ac, contactPoint) - getVelocityAtWFPoint(p_idx2, ac, contactPoint)) );
+ const Vec3 relVelN( math::dot(relVel, contactNormal) * contactNormal );
+ const Vec3 relVelT( relVel - relVelN );
+
+
+ // calculate the normal force based on a linear spring-dashpot force model
+ Vec3 fN = getStiffnessN(ac.getType(p_idx1), ac.getType(p_idx2)) * delta * contactNormal +
+ getDampingN(ac.getType(p_idx1), ac.getType(p_idx2)) * relVelN;
+
+
+ // get further collision properties from the contact history or initialize them
+ Vec3 tangentialSpringDisplacement( real_t(0) );
+ real_t impactVelocityMagnitude(real_t(0));
+ bool isSticking = false;
+ auto contactHistory = ac.getOldContactHistoryRef(p_idx1).find(ac.getUid(p_idx2)); //TODO assert symmetry
+ if(contactHistory != ac.getOldContactHistoryRef(p_idx1).end())
+ {
+ // get infos from the contact history
+ tangentialSpringDisplacement = contactHistory->second.getTangentialSpringDisplacement();
+ isSticking = contactHistory->second.getIsSticking();
+ impactVelocityMagnitude = contactHistory->second.getImpactVelocityMagnitude();
+
+ }else
+ {
+ // new contact: initialize values
+ impactVelocityMagnitude = relVel.length();
+ }
+
+ //TODO: move to own tangential integration kernel?
+ Vec3 rotatedTangentialDisplacement = tangentialSpringDisplacement - contactNormal * (contactNormal * tangentialSpringDisplacement);
+ Vec3 newTangentialSpringDisplacement = rotatedTangentialDisplacement.sqrLength() <= real_t(0) ? // avoid division by zero
+ Vec3(real_t(0)) :
+ ( rotatedTangentialDisplacement * std::sqrt((tangentialSpringDisplacement.sqrLength() / rotatedTangentialDisplacement.sqrLength())));
+ newTangentialSpringDisplacement = newTangentialSpringDisplacement + dt * relVelT;
+
+ // calculate the tangential force based on a linear spring-dashpot force model
+ const real_t stiffnessT = getStiffnessT(ac.getType(p_idx1), ac.getType(p_idx2));
+ const real_t dampingT = getDampingT(ac.getType(p_idx1), ac.getType(p_idx2));
+ Vec3 fTLS = stiffnessT * newTangentialSpringDisplacement +
+ dampingT * relVelT;
+
+ const Vec3 t = fTLS.getNormalizedOrZero(); // tangential unit vector
+
+ // calculate friction force
+ const real_t fFrictionAbsStatic = getFrictionCoefficientStatic(ac.getType(p_idx1), ac.getType(p_idx2)) * fN.length(); // sticking, rolling
+ const real_t fFrictionAbsDynamic = getFrictionCoefficientDynamic(ac.getType(p_idx1), ac.getType(p_idx2)) * fN.length(); // sliding
+
+ const real_t tangentialVelocityThreshold = real_t(1e-8);
+
+ real_t fFrictionAbs;
+ if( isSticking && relVelT.length() < tangentialVelocityThreshold && fTLS.length() < fFrictionAbsStatic )
+ {
+ fFrictionAbs = fFrictionAbsStatic;
+ }
+ else if( isSticking && fTLS.length() < fFrictionAbsDynamic )
+ {
+ // sticking
+ fFrictionAbs = fFrictionAbsDynamic;
+ }
+ else
+ {
+ // slipping
+ fFrictionAbs = fFrictionAbsDynamic;
+
+ isSticking = false;
+
+ // reset displacement vector
+ if(stiffnessT > real_t(0) ) newTangentialSpringDisplacement = ( fFrictionAbs * t - dampingT * relVelT ) / stiffnessT;
+
+ // if tangential force falls below coulomb limit, we are back in sticking
+ if( fTLS.length() < fFrictionAbsDynamic )
+ {
+ //TODO really?
+ isSticking = true;
+ }
+ }
+
+ const real_t fTabs( std::min( fTLS.length(), fFrictionAbs) );
+ const Vec3 fT ( fTabs * t );
+
+ //TODO check if tangential spring displacement is same for symmetric case
+ auto& ch1 = ac.getNewContactHistoryRef(p_idx1)[ac.getUid(p_idx2)];
+ ch1.setTangentialSpringDisplacement(newTangentialSpringDisplacement);
+ ch1.setIsSticking(isSticking);
+ ch1.setImpactVelocityMagnitude(impactVelocityMagnitude);
+
+ auto& ch2 = ac.getNewContactHistoryRef(p_idx2)[ac.getUid(p_idx1)];
+ ch2.setTangentialSpringDisplacement(newTangentialSpringDisplacement);
+ ch2.setIsSticking(isSticking);
+ ch2.setImpactVelocityMagnitude(impactVelocityMagnitude);
+
+ // Add normal force at contact point
+ addForceAtWFPosAtomic( p_idx1, ac, fN, contactPoint );
+ addForceAtWFPosAtomic( p_idx2, ac, -fN, contactPoint );
+
+ // Add tangential force at contact point
+ addForceAtWFPosAtomic( p_idx1, ac, fT, contactPoint );
+ addForceAtWFPosAtomic( p_idx2, ac, -fT, contactPoint );
+
+ }
+}
+
+} //namespace kernel
+} //namespace mesa_pd
+} //namespace walberla
\ No newline at end of file
diff --git a/src/mesa_pd/kernel/NonLinearSpringDashpot.h b/src/mesa_pd/kernel/NonLinearSpringDashpot.h
new file mode 100644
index 000000000..987cff4ef
--- /dev/null
+++ b/src/mesa_pd/kernel/NonLinearSpringDashpot.h
@@ -0,0 +1,377 @@
+//======================================================================================================================
+//
+// This file is part of waLBerla. waLBerla is free software: you can
+// redistribute it and/or modify it under the terms of the GNU General Public
+// License as published by the Free Software Foundation, either version 3 of
+// the License, or (at your option) any later version.
+//
+// waLBerla is distributed in the hope that it will be useful, but WITHOUT
+// ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
+// FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License
+// for more details.
+//
+// You should have received a copy of the GNU General Public License along
+// with waLBerla (see COPYING.txt). If not, see <http://www.gnu.org/licenses/>.
+//
+//! \file NonLinearSpringDashpot.h
+//! \author Sebastian Eibl <sebastian.eibl@fau.de>
+//! \author Christoph Rettinger <christoph.rettinger@fau.de>
+//
+//======================================================================================================================
+
+//======================================================================================================================
+//
+// THIS FILE IS GENERATED - PLEASE CHANGE THE TEMPLATE !!!
+//
+//======================================================================================================================
+
+#pragma once
+
+#include <mesa_pd/common/ParticleFunctions.h>
+#include <mesa_pd/data/DataTypes.h>
+#include <mesa_pd/data/IAccessor.h>
+
+#include <core/logging/Logging.h>
+
+#include <vector>
+
+namespace walberla {
+namespace mesa_pd {
+namespace kernel {
+
+/**
+ * Advanced DEM kernel
+ *
+ * This model is the model from
+ * Edward Biegert, Bernhard Vowinckel, Eckart Meiburg
+ * A collision model for grain-resolving simulations of flows over dense, mobile, polydisperse granular sediment beds
+ * https://doi.org/10.1016/j.jcp.2017.03.035
+ *
+ * \code
+ * const walberla::id_t& getUid(const size_t p_idx) const;
+ *
+ * const walberla::mesa_pd::Vec3& getPosition(const size_t p_idx) const;
+ *
+ * const walberla::mesa_pd::Vec3& getLinearVelocity(const size_t p_idx) const;
+ *
+ * walberla::mesa_pd::Vec3& getForceRef(const size_t p_idx);
+ *
+ * const walberla::mesa_pd::Vec3& getAngularVelocity(const size_t p_idx) const;
+ *
+ * walberla::mesa_pd::Vec3& getTorqueRef(const size_t p_idx);
+ *
+ * const uint_t& getType(const size_t p_idx) const;
+ *
+ * const std::map<walberla::id_t, walberla::mesa_pd::Vec3>& getContactHistory(const size_t p_idx) const;
+ * void setContactHistory(const size_t p_idx, const std::map<walberla::id_t, walberla::mesa_pd::Vec3>& v);
+ *
+ * \endcode
+ * \ingroup mesa_pd_kernel
+ */
+class NonLinearSpringDashpot
+{
+public:
+ NonLinearSpringDashpot(const uint_t numParticleTypes, const real_t collisionTime);
+ NonLinearSpringDashpot(const NonLinearSpringDashpot& other) = default;
+ NonLinearSpringDashpot(NonLinearSpringDashpot&& other) = default;
+ NonLinearSpringDashpot& operator=(const NonLinearSpringDashpot& other) = default;
+ NonLinearSpringDashpot& operator=(NonLinearSpringDashpot&& other) = default;
+
+ template <typename Accessor>
+ void operator()(const size_t p_idx1,
+ const size_t p_idx2,
+ Accessor& ac,
+ const Vec3& contactPoint,
+ const Vec3& contactNormal,
+ const real_t& penetrationDepth,
+ const real_t& dt) const;
+
+ void setCOR(const size_t type1, const size_t type2, const real_t& val);
+
+ /// assumes this parameter is symmetric
+ void setLnCORsqr(const size_t type1, const size_t type2, const real_t& val);
+ /// assumes this parameter is symmetric
+ void setMeff(const size_t type1, const size_t type2, const real_t& val);
+ /// assumes this parameter is symmetric
+ void setStiffnessT(const size_t type1, const size_t type2, const real_t& val);
+ /// assumes this parameter is symmetric
+ void setDampingT(const size_t type1, const size_t type2, const real_t& val);
+ /// assumes this parameter is symmetric
+ void setFrictionCoefficientStatic(const size_t type1, const size_t type2, const real_t& val);
+ /// assumes this parameter is symmetric
+ void setFrictionCoefficientDynamic(const size_t type1, const size_t type2, const real_t& val);
+
+
+ real_t getLnCORsqr(const size_t type1, const size_t type2) const;
+ real_t getMeff(const size_t type1, const size_t type2) const;
+ real_t getStiffnessT(const size_t type1, const size_t type2) const;
+ real_t getDampingT(const size_t type1, const size_t type2) const;
+ real_t getFrictionCoefficientStatic(const size_t type1, const size_t type2) const;
+ real_t getFrictionCoefficientDynamic(const size_t type1, const size_t type2) const;
+private:
+ uint_t numParticleTypes_;
+ real_t collisionTime_;
+
+ std::vector<real_t> lnCORsqr_ {};
+ std::vector<real_t> meff_ {};
+ std::vector<real_t> stiffnessT_ {};
+ std::vector<real_t> dampingT_ {};
+ std::vector<real_t> frictionCoefficientStatic_ {};
+ std::vector<real_t> frictionCoefficientDynamic_ {};
+};
+
+NonLinearSpringDashpot::NonLinearSpringDashpot(const uint_t numParticleTypes, const real_t collisionTime)
+{
+ numParticleTypes_ = numParticleTypes;
+
+ lnCORsqr_.resize(numParticleTypes * numParticleTypes, real_t(0));
+ meff_.resize(numParticleTypes * numParticleTypes, real_t(0));
+ stiffnessT_.resize(numParticleTypes * numParticleTypes, real_t(0));
+ dampingT_.resize(numParticleTypes * numParticleTypes, real_t(0));
+ frictionCoefficientStatic_.resize(numParticleTypes * numParticleTypes, real_t(0));
+ frictionCoefficientDynamic_.resize(numParticleTypes * numParticleTypes, real_t(0));
+ collisionTime_ = collisionTime;
+}
+
+inline void NonLinearSpringDashpot::setCOR(const size_t type1, const size_t type2, const real_t& val)
+{
+ auto lnVal = std::log(val);
+ auto lnValSqr = lnVal * lnVal;
+ setLnCORsqr(type1, type2, lnValSqr);
+}
+
+
+inline void NonLinearSpringDashpot::setLnCORsqr(const size_t type1, const size_t type2, const real_t& val)
+{
+ WALBERLA_ASSERT_LESS( type1, numParticleTypes_ );
+ WALBERLA_ASSERT_LESS( type2, numParticleTypes_ );
+ lnCORsqr_[numParticleTypes_*type1 + type2] = val;
+ lnCORsqr_[numParticleTypes_*type2 + type1] = val;
+}
+inline void NonLinearSpringDashpot::setMeff(const size_t type1, const size_t type2, const real_t& val)
+{
+ WALBERLA_ASSERT_LESS( type1, numParticleTypes_ );
+ WALBERLA_ASSERT_LESS( type2, numParticleTypes_ );
+ meff_[numParticleTypes_*type1 + type2] = val;
+ meff_[numParticleTypes_*type2 + type1] = val;
+}
+inline void NonLinearSpringDashpot::setStiffnessT(const size_t type1, const size_t type2, const real_t& val)
+{
+ WALBERLA_ASSERT_LESS( type1, numParticleTypes_ );
+ WALBERLA_ASSERT_LESS( type2, numParticleTypes_ );
+ stiffnessT_[numParticleTypes_*type1 + type2] = val;
+ stiffnessT_[numParticleTypes_*type2 + type1] = val;
+}
+inline void NonLinearSpringDashpot::setDampingT(const size_t type1, const size_t type2, const real_t& val)
+{
+ WALBERLA_ASSERT_LESS( type1, numParticleTypes_ );
+ WALBERLA_ASSERT_LESS( type2, numParticleTypes_ );
+ dampingT_[numParticleTypes_*type1 + type2] = val;
+ dampingT_[numParticleTypes_*type2 + type1] = val;
+}
+inline void NonLinearSpringDashpot::setFrictionCoefficientStatic(const size_t type1, const size_t type2, const real_t& val)
+{
+ WALBERLA_ASSERT_LESS( type1, numParticleTypes_ );
+ WALBERLA_ASSERT_LESS( type2, numParticleTypes_ );
+ frictionCoefficientStatic_[numParticleTypes_*type1 + type2] = val;
+ frictionCoefficientStatic_[numParticleTypes_*type2 + type1] = val;
+}
+inline void NonLinearSpringDashpot::setFrictionCoefficientDynamic(const size_t type1, const size_t type2, const real_t& val)
+{
+ WALBERLA_ASSERT_LESS( type1, numParticleTypes_ );
+ WALBERLA_ASSERT_LESS( type2, numParticleTypes_ );
+ frictionCoefficientDynamic_[numParticleTypes_*type1 + type2] = val;
+ frictionCoefficientDynamic_[numParticleTypes_*type2 + type1] = val;
+}
+
+
+inline real_t NonLinearSpringDashpot::getLnCORsqr(const size_t type1, const size_t type2) const
+{
+ WALBERLA_ASSERT_LESS( type1, numParticleTypes_ );
+ WALBERLA_ASSERT_LESS( type2, numParticleTypes_ );
+ WALBERLA_ASSERT_FLOAT_EQUAL( lnCORsqr_[numParticleTypes_*type1 + type2],
+ lnCORsqr_[numParticleTypes_*type2 + type1],
+ "parameter matrix for lnCORsqr not symmetric!");
+ return lnCORsqr_[numParticleTypes_*type1 + type2];
+}
+inline real_t NonLinearSpringDashpot::getMeff(const size_t type1, const size_t type2) const
+{
+ WALBERLA_ASSERT_LESS( type1, numParticleTypes_ );
+ WALBERLA_ASSERT_LESS( type2, numParticleTypes_ );
+ WALBERLA_ASSERT_FLOAT_EQUAL( meff_[numParticleTypes_*type1 + type2],
+ meff_[numParticleTypes_*type2 + type1],
+ "parameter matrix for meff not symmetric!");
+ return meff_[numParticleTypes_*type1 + type2];
+}
+inline real_t NonLinearSpringDashpot::getStiffnessT(const size_t type1, const size_t type2) const
+{
+ WALBERLA_ASSERT_LESS( type1, numParticleTypes_ );
+ WALBERLA_ASSERT_LESS( type2, numParticleTypes_ );
+ WALBERLA_ASSERT_FLOAT_EQUAL( stiffnessT_[numParticleTypes_*type1 + type2],
+ stiffnessT_[numParticleTypes_*type2 + type1],
+ "parameter matrix for stiffnessT not symmetric!");
+ return stiffnessT_[numParticleTypes_*type1 + type2];
+}
+inline real_t NonLinearSpringDashpot::getDampingT(const size_t type1, const size_t type2) const
+{
+ WALBERLA_ASSERT_LESS( type1, numParticleTypes_ );
+ WALBERLA_ASSERT_LESS( type2, numParticleTypes_ );
+ WALBERLA_ASSERT_FLOAT_EQUAL( dampingT_[numParticleTypes_*type1 + type2],
+ dampingT_[numParticleTypes_*type2 + type1],
+ "parameter matrix for dampingT not symmetric!");
+ return dampingT_[numParticleTypes_*type1 + type2];
+}
+inline real_t NonLinearSpringDashpot::getFrictionCoefficientStatic(const size_t type1, const size_t type2) const
+{
+ WALBERLA_ASSERT_LESS( type1, numParticleTypes_ );
+ WALBERLA_ASSERT_LESS( type2, numParticleTypes_ );
+ WALBERLA_ASSERT_FLOAT_EQUAL( frictionCoefficientStatic_[numParticleTypes_*type1 + type2],
+ frictionCoefficientStatic_[numParticleTypes_*type2 + type1],
+ "parameter matrix for frictionCoefficientStatic not symmetric!");
+ return frictionCoefficientStatic_[numParticleTypes_*type1 + type2];
+}
+inline real_t NonLinearSpringDashpot::getFrictionCoefficientDynamic(const size_t type1, const size_t type2) const
+{
+ WALBERLA_ASSERT_LESS( type1, numParticleTypes_ );
+ WALBERLA_ASSERT_LESS( type2, numParticleTypes_ );
+ WALBERLA_ASSERT_FLOAT_EQUAL( frictionCoefficientDynamic_[numParticleTypes_*type1 + type2],
+ frictionCoefficientDynamic_[numParticleTypes_*type2 + type1],
+ "parameter matrix for frictionCoefficientDynamic not symmetric!");
+ return frictionCoefficientDynamic_[numParticleTypes_*type1 + type2];
+}
+
+template <typename Accessor>
+inline void NonLinearSpringDashpot::operator()(const size_t p_idx1,
+ const size_t p_idx2,
+ Accessor& ac,
+ const Vec3& contactPoint,
+ const Vec3& contactNormal,
+ const real_t& penetrationDepth,
+ const real_t& dt) const
+{
+ static_assert(std::is_base_of<data::IAccessor, Accessor>::value, "please provide a valid accessor");
+
+ if (p_idx1 != p_idx2)
+ {
+
+ WALBERLA_ASSERT_FLOAT_EQUAL(math::sqrLength(contactNormal), real_t(1));
+
+ real_t delta = -penetrationDepth;
+ if (delta < real_t(0)) return;
+
+
+ const Vec3 relVel ( -(getVelocityAtWFPoint(p_idx1, ac, contactPoint) - getVelocityAtWFPoint(p_idx2, ac, contactPoint)) );
+ const Vec3 relVelN( math::dot(relVel, contactNormal) * contactNormal );
+ const Vec3 relVelT( relVel - relVelN );
+
+ // get further collision properties from the contact history or initialize them
+ Vec3 tangentialSpringDisplacement( real_t(0) );
+ real_t impactVelocityMagnitude(real_t(0));
+ bool isSticking = false;
+ auto contactHistory = ac.getOldContactHistoryRef(p_idx1).find(ac.getUid(p_idx2)); //TODO assert symmetry
+ if(contactHistory != ac.getOldContactHistoryRef(p_idx1).end())
+ {
+ // get infos from the contact history
+ tangentialSpringDisplacement = contactHistory->second.getTangentialSpringDisplacement();
+ isSticking = contactHistory->second.getIsSticking();
+ impactVelocityMagnitude = contactHistory->second.getImpactVelocityMagnitude();
+
+ }else
+ {
+ // new contact: initialize values
+ impactVelocityMagnitude = relVel.length();
+ }
+
+ // ACTM: adapt collision coefficients
+ const real_t A = real_t(0.716);
+ const real_t B = real_t(0.830);
+ const real_t C = real_t(0.744);
+ const real_t alpha = real_t(1.111);
+ const real_t tau_c0 = real_t(3.218);
+ const real_t nu = getLnCORsqr(ac.getType(p_idx1), ac.getType(p_idx2));
+ const real_t lambda = (-real_t(0.5) * C * nu + std::sqrt(real_t(0.25) * C * C * nu * nu + alpha * alpha * tau_c0 * tau_c0 * nu)) / (alpha * alpha * tau_c0 * tau_c0);
+ const real_t tStar = std::sqrt(real_t(1) - A * lambda - B * lambda * lambda) * collisionTime_ / tau_c0;
+ const real_t meff = getMeff(ac.getType(p_idx1), ac.getType(p_idx2));
+ const real_t dn = real_t(2) * lambda * meff / tStar;
+ const real_t kn = meff / std::sqrt(impactVelocityMagnitude * std::pow(tStar, real_t(5)));
+
+ // calculate the normal force based on a non-linear spring-dashpot force model
+ Vec3 fN = kn * std::pow(delta, real_t(3)/real_t(2)) * contactNormal + dn * relVelN;
+
+ //TODO: move to own tangential integration kernel?
+ Vec3 rotatedTangentialDisplacement = tangentialSpringDisplacement - contactNormal * (contactNormal * tangentialSpringDisplacement);
+ Vec3 newTangentialSpringDisplacement = rotatedTangentialDisplacement.sqrLength() <= real_t(0) ? // avoid division by zero
+ Vec3(real_t(0)) :
+ ( rotatedTangentialDisplacement * std::sqrt((tangentialSpringDisplacement.sqrLength() / rotatedTangentialDisplacement.sqrLength())));
+ newTangentialSpringDisplacement = newTangentialSpringDisplacement + dt * relVelT;
+
+ // calculate the tangential force based on a linear spring-dashpot force model
+ const real_t stiffnessT = getStiffnessT(ac.getType(p_idx1), ac.getType(p_idx2));
+ const real_t dampingT = getDampingT(ac.getType(p_idx1), ac.getType(p_idx2));
+ Vec3 fTLS = stiffnessT * newTangentialSpringDisplacement +
+ dampingT * relVelT;
+
+ const Vec3 t = fTLS.getNormalizedOrZero(); // tangential unit vector
+
+ // calculate friction force
+ const real_t fFrictionAbsStatic = getFrictionCoefficientStatic(ac.getType(p_idx1), ac.getType(p_idx2)) * fN.length(); // sticking, rolling
+ const real_t fFrictionAbsDynamic = getFrictionCoefficientDynamic(ac.getType(p_idx1), ac.getType(p_idx2)) * fN.length(); // sliding
+
+ const real_t tangentialVelocityThreshold = real_t(1e-8);
+
+ real_t fFrictionAbs;
+ if( isSticking && relVelT.length() < tangentialVelocityThreshold && fTLS.length() < fFrictionAbsStatic )
+ {
+ fFrictionAbs = fFrictionAbsStatic;
+ }
+ else if( isSticking && fTLS.length() < fFrictionAbsDynamic )
+ {
+ // sticking
+ fFrictionAbs = fFrictionAbsDynamic;
+ }
+ else
+ {
+ // slipping
+ fFrictionAbs = fFrictionAbsDynamic;
+
+ isSticking = false;
+
+ // reset displacement vector
+ if(stiffnessT > real_t(0) ) newTangentialSpringDisplacement = ( fFrictionAbs * t - dampingT * relVelT ) / stiffnessT;
+
+ // if tangential force falls below coulomb limit, we are back in sticking
+ if( fTLS.length() < fFrictionAbsDynamic )
+ {
+ //TODO really?
+ isSticking = true;
+ }
+ }
+
+ const real_t fTabs( std::min( fTLS.length(), fFrictionAbs) );
+ const Vec3 fT ( fTabs * t );
+
+ //TODO check if tangential spring displacement is same for symmetric case
+ auto& ch1 = ac.getNewContactHistoryRef(p_idx1)[ac.getUid(p_idx2)];
+ ch1.setTangentialSpringDisplacement(newTangentialSpringDisplacement);
+ ch1.setIsSticking(isSticking);
+ ch1.setImpactVelocityMagnitude(impactVelocityMagnitude);
+
+ auto& ch2 = ac.getNewContactHistoryRef(p_idx2)[ac.getUid(p_idx1)];
+ ch2.setTangentialSpringDisplacement(newTangentialSpringDisplacement);
+ ch2.setIsSticking(isSticking);
+ ch2.setImpactVelocityMagnitude(impactVelocityMagnitude);
+
+ // Add normal force at contact point
+ addForceAtWFPosAtomic( p_idx1, ac, fN, contactPoint );
+ addForceAtWFPosAtomic( p_idx2, ac, -fN, contactPoint );
+
+ // Add tangential force at contact point
+ addForceAtWFPosAtomic( p_idx1, ac, fT, contactPoint );
+ addForceAtWFPosAtomic( p_idx2, ac, -fT, contactPoint );
+
+ }
+}
+
+} //namespace kernel
+} //namespace mesa_pd
+} //namespace walberla
\ No newline at end of file
diff --git a/src/mesa_pd/kernel/ParticleSelector.h b/src/mesa_pd/kernel/ParticleSelector.h
new file mode 100644
index 000000000..e7a11f674
--- /dev/null
+++ b/src/mesa_pd/kernel/ParticleSelector.h
@@ -0,0 +1,78 @@
+//======================================================================================================================
+//
+// This file is part of waLBerla. waLBerla is free software: you can
+// redistribute it and/or modify it under the terms of the GNU General Public
+// License as published by the Free Software Foundation, either version 3 of
+// the License, or (at your option) any later version.
+//
+// waLBerla is distributed in the hope that it will be useful, but WITHOUT
+// ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
+// FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License
+// for more details.
+//
+// You should have received a copy of the GNU General Public License along
+// with waLBerla (see COPYING.txt). If not, see <http://www.gnu.org/licenses/>.
+//
+//! \file ParticleSelector.h
+//! \author Sebastian Eibl <sebastian.eibl@fau.de>
+//
+//======================================================================================================================
+
+#pragma once
+
+#include <mesa_pd/data/ParticleStorage.h>
+
+namespace walberla {
+namespace mesa_pd {
+namespace kernel {
+
+class SelectAll
+{
+public:
+ template <typename Accessor>
+ bool operator()(const size_t /*idx*/, Accessor& /*ac*/) const { return true; }
+
+ template <typename Accessor>
+ bool operator()(const size_t /*idx*/, const size_t /*jdx*/, Accessor& /*ac*/) const { return true; }
+};
+
+class SelectLocal
+{
+public:
+ template <typename Accessor>
+ bool operator()(const size_t idx, Accessor& ac) const
+ {
+ using namespace walberla::mesa_pd::data::particle_flags;
+ if (isSet(ac.getFlags(idx), GHOST)) return false;
+ if (isSet(ac.getFlags(idx), GLOBAL)) return false;
+ return true;
+ }
+};
+
+class SelectGhost
+{
+public:
+ template <typename Accessor>
+ bool operator()(const size_t idx, Accessor& ac) const
+ {
+ using namespace walberla::mesa_pd::data::particle_flags;
+ if (isSet(ac.getFlags(idx), GHOST)) return true;
+ return false;
+ }
+};
+
+class ExcludeInfiniteInfinite
+{
+public:
+ template <typename Accessor>
+ bool operator()(const size_t idx, const size_t jdx, Accessor& ac) const
+ {
+ using namespace walberla::mesa_pd::data::particle_flags;
+ if (isSet(ac.getFlags(idx), INFINITE) && isSet(ac.getFlags(jdx), INFINITE)) return false;
+ return true;
+ }
+};
+
+} //namespace data
+} //namespace mesa_pd
+} //namespace walberla
diff --git a/src/mesa_pd/kernel/SingleCast.h b/src/mesa_pd/kernel/SingleCast.h
new file mode 100644
index 000000000..0514d5a65
--- /dev/null
+++ b/src/mesa_pd/kernel/SingleCast.h
@@ -0,0 +1,73 @@
+//======================================================================================================================
+//
+// This file is part of waLBerla. waLBerla is free software: you can
+// redistribute it and/or modify it under the terms of the GNU General Public
+// License as published by the Free Software Foundation, either version 3 of
+// the License, or (at your option) any later version.
+//
+// waLBerla is distributed in the hope that it will be useful, but WITHOUT
+// ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
+// FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License
+// for more details.
+//
+// You should have received a copy of the GNU General Public License along
+// with waLBerla (see COPYING.txt). If not, see <http://www.gnu.org/licenses/>.
+//
+//! \file SingleCast.h
+//! \author Sebastian Eibl <sebastian.eibl@fau.de>
+//
+//======================================================================================================================
+
+//======================================================================================================================
+//
+// THIS FILE IS GENERATED - PLEASE CHANGE THE TEMPLATE !!!
+//
+//======================================================================================================================
+
+#pragma once
+
+#include <mesa_pd/data/DataTypes.h>
+#include <mesa_pd/data/IAccessor.h>
+#include <mesa_pd/data/shape/BaseShape.h>
+#include <mesa_pd/data/shape/Sphere.h>
+#include <mesa_pd/data/shape/HalfSpace.h>
+
+#include <core/Abort.h>
+#include <core/debug/Debug.h>
+
+namespace walberla {
+namespace mesa_pd {
+namespace kernel {
+
+/**
+ * This kernel requires the following particle accessor interface
+ * \code
+ * const BaseShape*& getShape(const size_t p_idx) const;
+ *
+ * \endcode
+ * \ingroup mesa_pd_kernel
+ */
+class SingleCast
+{
+public:
+ template <typename Accessor, typename func, typename... Args>
+ auto operator()( size_t idx, Accessor& ac, func& f, Args&&... args );
+};
+
+template <typename Accessor, typename func, typename... Args>
+auto SingleCast::operator()( size_t idx, Accessor& ac, func& f, Args&&... args )
+{
+ static_assert(std::is_base_of<data::IAccessor, Accessor>::value, "please provide a valid accessor");
+
+ using namespace mesa_pd::data;
+ switch (ac.getShape(idx)->getShapeType())
+ {
+ case Sphere::SHAPE_TYPE : return f(idx, *static_cast<Sphere*>(ac.getShape(idx)), std::forward<Args>(args)...);
+ case HalfSpace::SHAPE_TYPE : return f(idx, *static_cast<HalfSpace*>(ac.getShape(idx)), std::forward<Args>(args)...);
+ default : WALBERLA_ABORT("Shape type (" << ac.getShape(idx)->getShapeType() << ") could not be determined!");
+ }
+}
+
+} //namespace kernel
+} //namespace mesa_pd
+} //namespace walberla
\ No newline at end of file
diff --git a/src/mesa_pd/kernel/SpringDashpot.h b/src/mesa_pd/kernel/SpringDashpot.h
new file mode 100644
index 000000000..fdc9fc6a7
--- /dev/null
+++ b/src/mesa_pd/kernel/SpringDashpot.h
@@ -0,0 +1,255 @@
+//======================================================================================================================
+//
+// This file is part of waLBerla. waLBerla is free software: you can
+// redistribute it and/or modify it under the terms of the GNU General Public
+// License as published by the Free Software Foundation, either version 3 of
+// the License, or (at your option) any later version.
+//
+// waLBerla is distributed in the hope that it will be useful, but WITHOUT
+// ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
+// FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License
+// for more details.
+//
+// You should have received a copy of the GNU General Public License along
+// with waLBerla (see COPYING.txt). If not, see <http://www.gnu.org/licenses/>.
+//
+//! \file SpringDashpot.h
+//! \author Sebastian Eibl <sebastian.eibl@fau.de>
+//
+//======================================================================================================================
+
+//======================================================================================================================
+//
+// THIS FILE IS GENERATED - PLEASE CHANGE THE TEMPLATE !!!
+//
+//======================================================================================================================
+
+#pragma once
+
+#include <mesa_pd/common/ParticleFunctions.h>
+#include <mesa_pd/data/DataTypes.h>
+#include <mesa_pd/data/IAccessor.h>
+
+#include <core/math/Constants.h>
+#include <vector>
+
+namespace walberla {
+namespace mesa_pd {
+namespace kernel {
+
+/**
+ * Basic DEM kernel
+ *
+ * This DEM kernel supports spring&dashpot in normal direction as well as friction in tangential direction.
+ *
+ * \code
+ * const walberla::mesa_pd::Vec3& getPosition(const size_t p_idx) const;
+ *
+ * const walberla::mesa_pd::Vec3& getLinearVelocity(const size_t p_idx) const;
+ *
+ * walberla::mesa_pd::Vec3& getForceRef(const size_t p_idx);
+ *
+ * const walberla::mesa_pd::Vec3& getAngularVelocity(const size_t p_idx) const;
+ *
+ * walberla::mesa_pd::Vec3& getTorqueRef(const size_t p_idx);
+ *
+ * const uint_t& getType(const size_t p_idx) const;
+ *
+ * const std::map<walberla::id_t, walberla::mesa_pd::Vec3>& getContactHistory(const size_t p_idx) const;
+ * void setContactHistory(const size_t p_idx, const std::map<walberla::id_t, walberla::mesa_pd::Vec3>& v);
+ *
+ * \endcode
+ * \ingroup mesa_pd_kernel
+ */
+class SpringDashpot
+{
+public:
+ SpringDashpot(const uint_t numParticleTypes);
+ SpringDashpot(const SpringDashpot& other) = default;
+ SpringDashpot(SpringDashpot&& other) = default;
+ SpringDashpot& operator=(const SpringDashpot& other) = default;
+ SpringDashpot& operator=(SpringDashpot&& other) = default;
+
+ template <typename Accessor>
+ void operator()(const size_t p_idx1,
+ const size_t p_idx2,
+ Accessor& ac,
+ const Vec3& contactPoint,
+ const Vec3& contactNormal,
+ const real_t& penetrationDepth) const;
+
+
+ /// assumes this parameter is symmetric
+ void setStiffness(const size_t type1, const size_t type2, const real_t& val);
+ /// assumes this parameter is symmetric
+ void setDampingN(const size_t type1, const size_t type2, const real_t& val);
+ /// assumes this parameter is symmetric
+ void setDampingT(const size_t type1, const size_t type2, const real_t& val);
+ /// assumes this parameter is symmetric
+ void setFriction(const size_t type1, const size_t type2, const real_t& val);
+
+
+ real_t getStiffness(const size_t type1, const size_t type2) const;
+ real_t getDampingN(const size_t type1, const size_t type2) const;
+ real_t getDampingT(const size_t type1, const size_t type2) const;
+ real_t getFriction(const size_t type1, const size_t type2) const;
+
+ inline
+ real_t calcCoefficientOfRestitution(const size_t type1,
+ const size_t type2,
+ const real_t meff)
+ {
+ auto a = real_t(0.5) * getDampingN(type1, type2) / meff;
+ return std::exp(-a * math::M_PI / std::sqrt(getStiffness(type1, type2) / meff - a*a));
+ }
+
+ inline
+ real_t calcCollisionTime(const size_t type1,
+ const size_t type2,
+ const real_t meff)
+ {
+ auto a = real_t(0.5) * getDampingN(type1, type2) / meff;
+ return math::M_PI / std::sqrt( getStiffness(type1, type2)/meff - a*a);
+ }
+
+ inline
+ void setParametersFromCOR(const size_t type1,
+ const size_t type2,
+ const real_t cor,
+ const real_t collisionTime,
+ const real_t meff)
+ {
+ const real_t lnDryResCoeff = std::log(cor);
+ setStiffness(type1, type2, math::M_PI * math::M_PI * meff / ( collisionTime * collisionTime * ( real_t(1) - lnDryResCoeff * lnDryResCoeff / ( math::M_PI * math::M_PI + lnDryResCoeff* lnDryResCoeff )) ));
+ setDampingN( type1, type2, - real_t(2) * std::sqrt( meff * getStiffness(type1, type2) ) * ( lnDryResCoeff / std::sqrt( math::M_PI * math::M_PI + ( lnDryResCoeff * lnDryResCoeff ) ) ));
+ }
+private:
+ uint_t numParticleTypes_;
+
+ std::vector<real_t> stiffness_ {};
+ std::vector<real_t> dampingN_ {};
+ std::vector<real_t> dampingT_ {};
+ std::vector<real_t> friction_ {};
+};
+
+SpringDashpot::SpringDashpot(const uint_t numParticleTypes)
+{
+ numParticleTypes_ = numParticleTypes;
+
+ stiffness_.resize(numParticleTypes * numParticleTypes, real_t(0));
+ dampingN_.resize(numParticleTypes * numParticleTypes, real_t(0));
+ dampingT_.resize(numParticleTypes * numParticleTypes, real_t(0));
+ friction_.resize(numParticleTypes * numParticleTypes, real_t(0));
+}
+
+
+inline void SpringDashpot::setStiffness(const size_t type1, const size_t type2, const real_t& val)
+{
+ WALBERLA_ASSERT_LESS( type1, numParticleTypes_ );
+ WALBERLA_ASSERT_LESS( type2, numParticleTypes_ );
+ stiffness_[numParticleTypes_*type1 + type2] = val;
+ stiffness_[numParticleTypes_*type2 + type1] = val;
+}
+inline void SpringDashpot::setDampingN(const size_t type1, const size_t type2, const real_t& val)
+{
+ WALBERLA_ASSERT_LESS( type1, numParticleTypes_ );
+ WALBERLA_ASSERT_LESS( type2, numParticleTypes_ );
+ dampingN_[numParticleTypes_*type1 + type2] = val;
+ dampingN_[numParticleTypes_*type2 + type1] = val;
+}
+inline void SpringDashpot::setDampingT(const size_t type1, const size_t type2, const real_t& val)
+{
+ WALBERLA_ASSERT_LESS( type1, numParticleTypes_ );
+ WALBERLA_ASSERT_LESS( type2, numParticleTypes_ );
+ dampingT_[numParticleTypes_*type1 + type2] = val;
+ dampingT_[numParticleTypes_*type2 + type1] = val;
+}
+inline void SpringDashpot::setFriction(const size_t type1, const size_t type2, const real_t& val)
+{
+ WALBERLA_ASSERT_LESS( type1, numParticleTypes_ );
+ WALBERLA_ASSERT_LESS( type2, numParticleTypes_ );
+ friction_[numParticleTypes_*type1 + type2] = val;
+ friction_[numParticleTypes_*type2 + type1] = val;
+}
+
+
+inline real_t SpringDashpot::getStiffness(const size_t type1, const size_t type2) const
+{
+ WALBERLA_ASSERT_LESS( type1, numParticleTypes_ );
+ WALBERLA_ASSERT_LESS( type2, numParticleTypes_ );
+ WALBERLA_ASSERT_FLOAT_EQUAL( stiffness_[numParticleTypes_*type1 + type2],
+ stiffness_[numParticleTypes_*type2 + type1],
+ "parameter matrix for stiffness not symmetric!");
+ return stiffness_[numParticleTypes_*type1 + type2];
+}
+inline real_t SpringDashpot::getDampingN(const size_t type1, const size_t type2) const
+{
+ WALBERLA_ASSERT_LESS( type1, numParticleTypes_ );
+ WALBERLA_ASSERT_LESS( type2, numParticleTypes_ );
+ WALBERLA_ASSERT_FLOAT_EQUAL( dampingN_[numParticleTypes_*type1 + type2],
+ dampingN_[numParticleTypes_*type2 + type1],
+ "parameter matrix for dampingN not symmetric!");
+ return dampingN_[numParticleTypes_*type1 + type2];
+}
+inline real_t SpringDashpot::getDampingT(const size_t type1, const size_t type2) const
+{
+ WALBERLA_ASSERT_LESS( type1, numParticleTypes_ );
+ WALBERLA_ASSERT_LESS( type2, numParticleTypes_ );
+ WALBERLA_ASSERT_FLOAT_EQUAL( dampingT_[numParticleTypes_*type1 + type2],
+ dampingT_[numParticleTypes_*type2 + type1],
+ "parameter matrix for dampingT not symmetric!");
+ return dampingT_[numParticleTypes_*type1 + type2];
+}
+inline real_t SpringDashpot::getFriction(const size_t type1, const size_t type2) const
+{
+ WALBERLA_ASSERT_LESS( type1, numParticleTypes_ );
+ WALBERLA_ASSERT_LESS( type2, numParticleTypes_ );
+ WALBERLA_ASSERT_FLOAT_EQUAL( friction_[numParticleTypes_*type1 + type2],
+ friction_[numParticleTypes_*type2 + type1],
+ "parameter matrix for friction not symmetric!");
+ return friction_[numParticleTypes_*type1 + type2];
+}
+
+template <typename Accessor>
+inline void SpringDashpot::operator()(const size_t p_idx1,
+ const size_t p_idx2,
+ Accessor& ac,
+ const Vec3& contactPoint,
+ const Vec3& contactNormal,
+ const real_t& penetrationDepth) const
+{
+ static_assert(std::is_base_of<data::IAccessor, Accessor>::value, "please provide a valid accessor");
+
+ if (p_idx1 != p_idx2)
+ {
+ // Global position of contact
+ const Vec3& gpos( contactPoint );
+ // The absolute value of the penetration length
+ real_t delta = -penetrationDepth;
+ if (delta < real_t(0)) return;
+
+ const Vec3 relVel ( -(getVelocityAtWFPoint(p_idx1, ac, gpos) - getVelocityAtWFPoint(p_idx2, ac, gpos)) );
+ const real_t relVelN( math::dot(relVel, contactNormal) );
+ const Vec3 relVelT( relVel - ( relVelN * contactNormal ) );
+
+ // Calculating the normal force based on a linear spring-dashpot force model
+ real_t fNabs = getStiffness(ac.getType(p_idx1), ac.getType(p_idx2)) * delta + getDampingN(ac.getType(p_idx1), ac.getType(p_idx2)) * relVelN;
+ const Vec3& fN = fNabs * contactNormal;
+
+ // Calculating the tangential force based on the model by Haff and Werner
+ const real_t fTabs( std::min( getDampingT(ac.getType(p_idx1), ac.getType(p_idx2)) * relVelT.length(), getFriction(ac.getType(p_idx1), ac.getType(p_idx2)) * fNabs ) );
+ const Vec3 fT ( fTabs * relVelT.getNormalizedOrZero() );
+
+ // Add normal force at contact point
+ addForceAtWFPosAtomic( p_idx1, ac, fN, gpos );
+ addForceAtWFPosAtomic( p_idx2, ac, -fN, gpos );
+
+ // Add tangential force at contact point
+ addForceAtWFPosAtomic( p_idx1, ac, fT, gpos );
+ addForceAtWFPosAtomic( p_idx2, ac, -fT, gpos );
+ }
+}
+
+} //namespace kernel
+} //namespace mesa_pd
+} //namespace walberla
\ No newline at end of file
diff --git a/src/mesa_pd/kernel/TemperatureIntegration.h b/src/mesa_pd/kernel/TemperatureIntegration.h
new file mode 100644
index 000000000..bdfc5732d
--- /dev/null
+++ b/src/mesa_pd/kernel/TemperatureIntegration.h
@@ -0,0 +1,117 @@
+//======================================================================================================================
+//
+// This file is part of waLBerla. waLBerla is free software: you can
+// redistribute it and/or modify it under the terms of the GNU General Public
+// License as published by the Free Software Foundation, either version 3 of
+// the License, or (at your option) any later version.
+//
+// waLBerla is distributed in the hope that it will be useful, but WITHOUT
+// ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
+// FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License
+// for more details.
+//
+// You should have received a copy of the GNU General Public License along
+// with waLBerla (see COPYING.txt). If not, see <http://www.gnu.org/licenses/>.
+//
+//! \file TemperatureIntegration.h
+//! \author Sebastian Eibl <sebastian.eibl@fau.de>
+//
+//======================================================================================================================
+
+//======================================================================================================================
+//
+// THIS FILE IS GENERATED - PLEASE CHANGE THE TEMPLATE !!!
+//
+//======================================================================================================================
+
+#pragma once
+
+#include <mesa_pd/data/DataTypes.h>
+#include <mesa_pd/data/IAccessor.h>
+
+namespace walberla {
+namespace mesa_pd {
+namespace kernel {
+
+/**
+ * Kernel which explicitly integrates all particles in time.
+ * This integrator integrates velocity and position.
+ *
+ * This kernel requires the following particle accessor interface
+ * \code
+ * const walberla::real_t& getTemperature(const size_t p_idx) const;
+ * void setTemperature(const size_t p_idx, const walberla::real_t& v);
+ *
+ * const walberla::real_t& getHeatFlux(const size_t p_idx) const;
+ * void setHeatFlux(const size_t p_idx, const walberla::real_t& v);
+ *
+ * const uint_t& getType(const size_t p_idx) const;
+ *
+ * \endcode
+ *
+ * \pre All forces acting on the particles have to be set.
+ * \post All forces are reset to 0.
+ * \ingroup mesa_pd_kernel
+ */
+class TemperatureIntegration
+{
+public:
+ TemperatureIntegration(const real_t dt, const uint_t numParticleTypes);
+ TemperatureIntegration(const TemperatureIntegration& other) = default;
+ TemperatureIntegration(TemperatureIntegration&& other) = default;
+ TemperatureIntegration& operator=(const TemperatureIntegration& other) = default;
+ TemperatureIntegration& operator=(TemperatureIntegration&& other) = default;
+
+ template <typename Accessor>
+ void operator()(const size_t i, Accessor& ac) const;
+
+
+ /// assumes this parameter is symmetric
+ void setInvHeatCapacity(const size_t type, const real_t& val);
+
+
+ real_t getInvHeatCapacity(const size_t type) const;
+private:
+ real_t dt_ = real_t(0.0);
+
+ uint_t numParticleTypes_;
+
+ std::vector<real_t> invHeatCapacity_ {};
+};
+
+TemperatureIntegration::TemperatureIntegration(const real_t dt, const uint_t numParticleTypes)
+ : dt_(dt)
+{
+ numParticleTypes_ = numParticleTypes;
+
+ invHeatCapacity_.resize(numParticleTypes, real_t(0));
+}
+
+
+inline void TemperatureIntegration::setInvHeatCapacity(const size_t type, const real_t& val)
+{
+ WALBERLA_ASSERT_LESS( type, numParticleTypes_ );
+ invHeatCapacity_[type] = val;
+}
+
+
+inline real_t TemperatureIntegration::getInvHeatCapacity(const size_t type) const
+{
+ WALBERLA_ASSERT_LESS( type, numParticleTypes_ );
+ return invHeatCapacity_[type];
+}
+
+template <typename Accessor>
+inline void TemperatureIntegration::operator()(const size_t idx,
+ Accessor& ac) const
+{
+ static_assert(std::is_base_of<data::IAccessor, Accessor>::value, "please provide a valid accessor");
+
+ //formula for heat capacity
+ ac.setTemperature(idx, getInvHeatCapacity(ac.getType(idx)) * ac.getHeatFlux(idx) * dt_ + ac.getTemperature(idx));
+ ac.setHeatFlux (idx, real_t(0));
+}
+
+} //namespace kernel
+} //namespace mesa_pd
+} //namespace walberla
\ No newline at end of file
diff --git a/src/mesa_pd/kernel/VelocityVerlet.h b/src/mesa_pd/kernel/VelocityVerlet.h
new file mode 100644
index 000000000..f4874bff0
--- /dev/null
+++ b/src/mesa_pd/kernel/VelocityVerlet.h
@@ -0,0 +1,118 @@
+//======================================================================================================================
+//
+// This file is part of waLBerla. waLBerla is free software: you can
+// redistribute it and/or modify it under the terms of the GNU General Public
+// License as published by the Free Software Foundation, either version 3 of
+// the License, or (at your option) any later version.
+//
+// waLBerla is distributed in the hope that it will be useful, but WITHOUT
+// ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
+// FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License
+// for more details.
+//
+// You should have received a copy of the GNU General Public License along
+// with waLBerla (see COPYING.txt). If not, see <http://www.gnu.org/licenses/>.
+//
+//! \file VelocityVerlet.h
+//! \author Sebastian Eibl <sebastian.eibl@fau.de>
+//
+//======================================================================================================================
+
+//======================================================================================================================
+//
+// THIS FILE IS GENERATED - PLEASE CHANGE THE TEMPLATE !!!
+//
+//======================================================================================================================
+
+#pragma once
+
+#include <mesa_pd/data/DataTypes.h>
+#include <mesa_pd/data/IAccessor.h>
+
+namespace walberla {
+namespace mesa_pd {
+namespace kernel {
+
+/**
+ * Velocity verlet integration for all particles.
+ *
+ * Velocit verlet integration is a two part kernel. preForceUpdate has to be
+ * called before the force calculation and postFroceUpdate afterwards. The
+ * integration is only complete when both functions are called. The integration
+ * is symplectic.
+ * \attention The force calculation has to be independent of velocity.
+ *
+ * This kernel requires the following particle accessor interface
+ * \code
+ * const walberla::mesa_pd::Vec3& getPosition(const size_t p_idx) const;
+ * void setPosition(const size_t p_idx, const walberla::mesa_pd::Vec3& v);
+ *
+ * const walberla::mesa_pd::Vec3& getLinearVelocity(const size_t p_idx) const;
+ * void setLinearVelocity(const size_t p_idx, const walberla::mesa_pd::Vec3& v);
+ *
+ * const walberla::real_t& getInvMass(const size_t p_idx) const;
+ *
+ * const walberla::mesa_pd::Vec3& getForce(const size_t p_idx) const;
+ * void setForce(const size_t p_idx, const walberla::mesa_pd::Vec3& v);
+ *
+ * const walberla::mesa_pd::Vec3& getOldForce(const size_t p_idx) const;
+ * void setOldForce(const size_t p_idx, const walberla::mesa_pd::Vec3& v);
+ *
+ * const walberla::mesa_pd::data::particle_flags::FlagT& getFlags(const size_t p_idx) const;
+ *
+ * \endcode
+ * \ingroup mesa_pd_kernel
+ */
+class VelocityVerletPreForceUpdate
+{
+public:
+ VelocityVerletPreForceUpdate(const real_t dt) : dt_(dt) {}
+
+ template <typename Accessor>
+ void operator()(const size_t i, Accessor& ac) const;
+
+ real_t dt_;
+};
+
+/// \see VelocityVerletPreForceUpdate
+class VelocityVerletPostForceUpdate
+{
+public:
+ VelocityVerletPostForceUpdate(const real_t dt) : dt_(dt) {}
+
+ template <typename Accessor>
+ void operator()(const size_t i, Accessor& ac) const;
+
+ real_t dt_;
+};
+
+template <typename Accessor>
+inline void VelocityVerletPreForceUpdate::operator()(const size_t p_idx, Accessor& ac) const
+{
+ static_assert(std::is_base_of<data::IAccessor, Accessor>::value, "please provide a valid accessor");
+
+ if (!data::particle_flags::isSet( ac.getFlags(p_idx), data::particle_flags::FIXED))
+ {
+ ac.setPosition(p_idx, ac.getPosition(p_idx) +
+ ac.getLinearVelocity(p_idx) * dt_ +
+ real_t(0.5) * ac.getInvMass(p_idx) * ac.getOldForce(p_idx) * dt_ * dt_);
+ }
+}
+
+template <typename Accessor>
+inline void VelocityVerletPostForceUpdate::operator()(const size_t p_idx, Accessor& ac) const
+{
+ static_assert(std::is_base_of<data::IAccessor, Accessor>::value, "please provide a valid accessor");
+
+ if (!data::particle_flags::isSet( ac.getFlags(p_idx), data::particle_flags::FIXED))
+ {
+ ac.setLinearVelocity(p_idx, ac.getLinearVelocity(p_idx) +
+ real_t(0.5) * ac.getInvMass(p_idx) * (ac.getOldForce(p_idx) + ac.getForce(p_idx)) * dt_);
+ }
+ ac.setOldForce(p_idx, ac.getForce(p_idx));
+ ac.setForce(p_idx, Vec3(real_t(0), real_t(0), real_t(0)));
+}
+
+} //namespace kernel
+} //namespace mesa_pd
+} //namespace walberla
\ No newline at end of file
diff --git a/src/mesa_pd/kernel/VelocityVerletWithShape.h b/src/mesa_pd/kernel/VelocityVerletWithShape.h
new file mode 100644
index 000000000..36c5b2f77
--- /dev/null
+++ b/src/mesa_pd/kernel/VelocityVerletWithShape.h
@@ -0,0 +1,155 @@
+//======================================================================================================================
+//
+// This file is part of waLBerla. waLBerla is free software: you can
+// redistribute it and/or modify it under the terms of the GNU General Public
+// License as published by the Free Software Foundation, either version 3 of
+// the License, or (at your option) any later version.
+//
+// waLBerla is distributed in the hope that it will be useful, but WITHOUT
+// ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
+// FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License
+// for more details.
+//
+// You should have received a copy of the GNU General Public License along
+// with waLBerla (see COPYING.txt). If not, see <http://www.gnu.org/licenses/>.
+//
+//! \file VelocityVerletWithShape.h
+//! \author Sebastian Eibl <sebastian.eibl@fau.de>
+//
+//======================================================================================================================
+
+//======================================================================================================================
+//
+// THIS FILE IS GENERATED - PLEASE CHANGE THE TEMPLATE !!!
+//
+//======================================================================================================================
+
+#pragma once
+
+#include <mesa_pd/data/DataTypes.h>
+#include <mesa_pd/data/IAccessor.h>
+
+namespace walberla {
+namespace mesa_pd {
+namespace kernel {
+
+/**
+ * Velocity verlet integration for all particles.
+ *
+ * Velocit verlet integration is a two part kernel. preForceUpdate has to be
+ * called before the force calculation and postFroceUpdate afterwards. The
+ * integration is only complete when both functions are called. The integration
+ * is symplectic.
+ * \attention The force calculation has to be independent of velocity.
+ *
+ * This kernel requires the following particle accessor interface
+ * \code
+ * const walberla::mesa_pd::Vec3& getPosition(const size_t p_idx) const;
+ * void setPosition(const size_t p_idx, const walberla::mesa_pd::Vec3& v);
+ *
+ * const walberla::mesa_pd::Vec3& getLinearVelocity(const size_t p_idx) const;
+ * void setLinearVelocity(const size_t p_idx, const walberla::mesa_pd::Vec3& v);
+ *
+ * const walberla::real_t& getInvMass(const size_t p_idx) const;
+ *
+ * const walberla::mesa_pd::Vec3& getForce(const size_t p_idx) const;
+ * void setForce(const size_t p_idx, const walberla::mesa_pd::Vec3& v);
+ *
+ * const walberla::mesa_pd::Vec3& getOldForce(const size_t p_idx) const;
+ * void setOldForce(const size_t p_idx, const walberla::mesa_pd::Vec3& v);
+ *
+ * const walberla::mesa_pd::Rot3& getRotation(const size_t p_idx) const;
+ * void setRotation(const size_t p_idx, const walberla::mesa_pd::Rot3& v);
+ *
+ * const walberla::mesa_pd::Vec3& getAngularVelocity(const size_t p_idx) const;
+ * void setAngularVelocity(const size_t p_idx, const walberla::mesa_pd::Vec3& v);
+ *
+ * const walberla::mesa_pd::Mat3& getInvInertiaBF(const size_t p_idx) const;
+ *
+ * const walberla::mesa_pd::Vec3& getTorque(const size_t p_idx) const;
+ * void setTorque(const size_t p_idx, const walberla::mesa_pd::Vec3& v);
+ *
+ * const walberla::mesa_pd::Vec3& getOldTorque(const size_t p_idx) const;
+ * void setOldTorque(const size_t p_idx, const walberla::mesa_pd::Vec3& v);
+ *
+ * const walberla::mesa_pd::data::particle_flags::FlagT& getFlags(const size_t p_idx) const;
+ *
+ * \endcode
+ * \ingroup mesa_pd_kernel
+ */
+class VelocityVerletWithShapePreForceUpdate
+{
+public:
+ VelocityVerletWithShapePreForceUpdate(const real_t dt) : dt_(dt) {}
+
+ template <typename Accessor>
+ void operator()(const size_t i, Accessor& ac) const;
+
+ real_t dt_;
+};
+
+/// \see VelocityVerletPreForceUpdate
+class VelocityVerletWithShapePostForceUpdate
+{
+public:
+ VelocityVerletWithShapePostForceUpdate(const real_t dt) : dt_(dt) {}
+
+ template <typename Accessor>
+ void operator()(const size_t i, Accessor& ac) const;
+
+ real_t dt_;
+};
+
+template <typename Accessor>
+inline void VelocityVerletWithShapePreForceUpdate::operator()(const size_t p_idx, Accessor& ac) const
+{
+ static_assert(std::is_base_of<data::IAccessor, Accessor>::value, "please provide a valid accessor");
+
+ if (!data::particle_flags::isSet( ac.getFlags(p_idx), data::particle_flags::FIXED))
+ {
+ ac.setPosition(p_idx, ac.getPosition(p_idx) +
+ ac.getLinearVelocity(p_idx) * dt_ +
+ real_t(0.5) * ac.getInvMass(p_idx) * ac.getOldForce(p_idx) * dt_ * dt_);
+
+ const Vec3 wdot = math::transformMatrixRART(ac.getRotation(p_idx).getMatrix(),
+ ac.getInvInertiaBF(p_idx)) * ac.getOldTorque(p_idx);
+
+ // Calculating the rotation angle
+ const Vec3 phi( ac.getAngularVelocity(p_idx) * dt_ + real_t(0.5) * wdot * dt_ * dt_);
+
+ // Calculating the new orientation
+ auto rotation = ac.getRotation(p_idx);
+ rotation.rotate( phi );
+ ac.setRotation(p_idx, rotation);
+ }
+}
+
+template <typename Accessor>
+inline void VelocityVerletWithShapePostForceUpdate::operator()(const size_t p_idx, Accessor& ac) const
+{
+ static_assert(std::is_base_of<data::IAccessor, Accessor>::value, "please provide a valid accessor");
+
+ if (!data::particle_flags::isSet( ac.getFlags(p_idx), data::particle_flags::FIXED))
+ {
+ ac.setLinearVelocity(p_idx, ac.getLinearVelocity(p_idx) +
+ real_t(0.5) * ac.getInvMass(p_idx) * (ac.getOldForce(p_idx) + ac.getForce(p_idx)) * dt_);
+
+
+ const auto torque = ac.getOldTorque(p_idx) + ac.getTorque(p_idx);
+ const Vec3 wdot = math::transformMatrixRART(ac.getRotation(p_idx).getMatrix(),
+ ac.getInvInertiaBF(p_idx)) * torque;
+
+ ac.setAngularVelocity(p_idx, ac.getAngularVelocity(p_idx) +
+ real_t(0.5) * wdot * dt_ );
+ }
+
+ ac.setOldForce(p_idx, ac.getForce(p_idx));
+ ac.setForce(p_idx, Vec3(real_t(0), real_t(0), real_t(0)));
+
+ ac.setOldTorque(p_idx, ac.getTorque(p_idx));
+ ac.setTorque(p_idx, Vec3(real_t(0), real_t(0), real_t(0)));
+}
+
+} //namespace kernel
+} //namespace mesa_pd
+} //namespace walberla
\ No newline at end of file
diff --git a/src/mesa_pd/kernel/mesa_pd_kernel.dox b/src/mesa_pd/kernel/mesa_pd_kernel.dox
new file mode 100644
index 000000000..e74f90c1b
--- /dev/null
+++ b/src/mesa_pd/kernel/mesa_pd_kernel.dox
@@ -0,0 +1,11 @@
+namespace walberla {
+namespace mesa_pd {
+
+/**
+ * \defgroup mesa_pd_kernel Particle and particle-particle kernels available in the MESA-PD module.
+ * \ingroup mesa_pd
+ * Description of all kernels available in the MESA-PD module.
+**/
+
+}
+}
diff --git a/src/mesa_pd/mesa_pd_module.dox b/src/mesa_pd/mesa_pd_module.dox
new file mode 100644
index 000000000..21c3832ea
--- /dev/null
+++ b/src/mesa_pd/mesa_pd_module.dox
@@ -0,0 +1,10 @@
+namespace walberla {
+namespace mesa_pd {
+
+/**
+ * \defgroup mesa_pd MESA-PD - Modular and Extensible Software Architecture for Particle Dynamics
+ * The particle dynamics module of the waLBerla multi-physics framework.
+**/
+
+}
+}
diff --git a/src/mesa_pd/mpi/BroadcastProperty.h b/src/mesa_pd/mpi/BroadcastProperty.h
new file mode 100644
index 000000000..856e030ec
--- /dev/null
+++ b/src/mesa_pd/mpi/BroadcastProperty.h
@@ -0,0 +1,135 @@
+//======================================================================================================================
+//
+// This file is part of waLBerla. waLBerla is free software: you can
+// redistribute it and/or modify it under the terms of the GNU General Public
+// License as published by the Free Software Foundation, either version 3 of
+// the License, or (at your option) any later version.
+//
+// waLBerla is distributed in the hope that it will be useful, but WITHOUT
+// ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
+// FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License
+// for more details.
+//
+// You should have received a copy of the GNU General Public License along
+// with waLBerla (see COPYING.txt). If not, see <http://www.gnu.org/licenses/>.
+//
+//! \file BroadcastProperty.h
+//! \author Sebastian Eibl <sebastian.eibl@fau.de>
+//
+//======================================================================================================================
+
+//======================================================================================================================
+//
+// THIS FILE IS GENERATED - PLEASE CHANGE THE TEMPLATE !!!
+//
+//======================================================================================================================
+
+#pragma once
+
+#include <mesa_pd/data/DataTypes.h>
+#include <mesa_pd/data/Flags.h>
+#include <mesa_pd/data/ParticleStorage.h>
+
+#include <core/mpi/BufferSystem.h>
+#include <core/logging/Logging.h>
+
+#include <type_traits>
+
+namespace walberla {
+namespace mesa_pd {
+namespace mpi {
+
+/**
+ * Broadcast a property from the master particle to all corresponding ghost particles.
+ *
+ * \par Usage:
+ * The property which will be broadcasted can be selected by the Notification template
+ * (see ForceTorqueNotification).
+ * void update(data::Particle&& p, const Notification::Parameters& objparam)
+ * will be called to update the ghost particles with the information transmitted.
+ *
+ * \post
+ * - all ghost particles got updated
+ *
+ * \ingroup mesa_pd_mpi
+ */
+class BroadcastProperty
+{
+public:
+ template <typename Notification>
+ void operator()(data::ParticleStorage& ps) const;
+
+ int64_t getBytesSent() const { return bs.getBytesSent(); }
+ int64_t getBytesReceived() const { return bs.getBytesReceived(); }
+
+ int64_t getNumberOfSends() const { return bs.getNumberOfSends(); }
+ int64_t getNumberOfReceives() const { return bs.getNumberOfReceives(); }
+private:
+ mutable walberla::mpi::BufferSystem bs = walberla::mpi::BufferSystem(walberla::mpi::MPIManager::instance()->comm() );
+
+ int numProcesses_ = walberla::mpi::MPIManager::instance()->numProcesses();
+};
+
+template <typename Notification>
+void BroadcastProperty::operator()(data::ParticleStorage& ps) const
+{
+ if (numProcesses_ == 1) return;
+
+ std::set<int> recvRanks; // potential message senders
+
+ WALBERLA_LOG_DETAIL( "Assembling of property reduction message starts...");
+
+ for( auto p : ps )
+ {
+ if (data::particle_flags::isSet( p.getFlags(), data::particle_flags::GHOST))
+ {
+ // Will receive message from the particles owner
+ recvRanks.insert(p.getOwner());
+ } else
+ {
+ //local particles should send the property to all ghost particles
+ for (auto& ghostRank : p.getGhostOwners())
+ {
+ auto& sb = bs.sendBuffer(ghostRank);
+ if (sb.isEmpty())
+ {
+ // fill empty buffers with a dummy byte to force transmission
+ sb << walberla::uint8_c(0);
+ }
+ sb << Notification( p );
+ }
+ }
+ }
+
+ WALBERLA_LOG_DETAIL( "Assembling of property broadcasting message ended." );
+
+ bs.setReceiverInfo(recvRanks, true);
+ bs.sendAll();
+
+ // Receiving the updates for the remote rigid bodies from the connected processes
+ WALBERLA_LOG_DETAIL( "Parsing of property broadcasting message starts..." );
+ for( auto it = bs.begin(); it != bs.end(); ++it )
+ {
+ walberla::uint8_t tmp;
+ it.buffer() >> tmp;
+ while( !it.buffer().isEmpty() )
+ {
+ typename Notification::Parameters objparam;
+ it.buffer() >> objparam;
+
+ WALBERLA_LOG_DETAIL( "Received reduction notification from neighboring process with rank " << it.rank() );
+
+ auto pIt = ps.find( objparam.uid_ );
+ WALBERLA_CHECK_UNEQUAL( pIt, ps.end() );
+
+ update(*pIt, objparam);
+
+ WALBERLA_LOG_DETAIL( "Processed broadcasting notification for particle " << objparam.uid_ << "." );
+ }
+ }
+ WALBERLA_LOG_DETAIL( "Parsing of property broadcasting message ended." );
+}
+
+} // namespace mpi
+} // namespace mesa_pd
+} // namespace walberla
\ No newline at end of file
diff --git a/src/mesa_pd/mpi/ClearNextNeighborSync.h b/src/mesa_pd/mpi/ClearNextNeighborSync.h
new file mode 100644
index 000000000..efadbe262
--- /dev/null
+++ b/src/mesa_pd/mpi/ClearNextNeighborSync.h
@@ -0,0 +1,79 @@
+//======================================================================================================================
+//
+// This file is part of waLBerla. waLBerla is free software: you can
+// redistribute it and/or modify it under the terms of the GNU General Public
+// License as published by the Free Software Foundation, either version 3 of
+// the License, or (at your option) any later version.
+//
+// waLBerla is distributed in the hope that it will be useful, but WITHOUT
+// ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
+// FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License
+// for more details.
+//
+// You should have received a copy of the GNU General Public License along
+// with waLBerla (see COPYING.txt). If not, see <http://www.gnu.org/licenses/>.
+//
+//! \file ClearNextNeighborSync.h
+//! \author Sebastian Eibl <sebastian.eibl@fau.de>
+//
+//======================================================================================================================
+
+//======================================================================================================================
+//
+// THIS FILE IS GENERATED - PLEASE CHANGE THE TEMPLATE !!!
+//
+//======================================================================================================================
+
+#pragma once
+
+#include <mesa_pd/data/Flags.h>
+
+namespace walberla {
+namespace mesa_pd {
+namespace mpi {
+
+/**
+ * Clear all ghost particles and reset ghost owner information
+ *
+ * This kernel requires the following particle accessor interface
+ * \code
+ * const walberla::mesa_pd::data::particle_flags::FlagT& getFlags(const size_t p_idx) const;
+ *
+ * std::vector<int>& getGhostOwnersRef(const size_t p_idx);
+ *
+ * \endcode
+ *
+ * \post All ghost particles are deleted.
+ * \post All ghost owners are reset.
+ *
+ * \ingroup mesa_pd_mpi
+ */
+class ClearNextNeighborSync
+{
+public:
+ template <typename Accessor>
+ void operator()(Accessor& ac) const;
+};
+
+template <typename Accessor>
+void ClearNextNeighborSync::operator()(Accessor& ac) const
+{
+ for (size_t idx = 0; idx < ac.size(); )
+ {
+ if (data::particle_flags::isSet( ac.getFlags(idx), data::particle_flags::GHOST))
+ {
+ //ghost particle
+ idx = ac.erase(idx);
+ continue;
+ } else
+ {
+ //local particle
+ ac.getGhostOwnersRef(idx).clear();
+ }
+ ++idx;
+ }
+}
+
+} // namespace mpi
+} // namespace mesa_pd
+} // namespace walberla
\ No newline at end of file
diff --git a/src/mesa_pd/mpi/ContactFilter.h b/src/mesa_pd/mpi/ContactFilter.h
new file mode 100644
index 000000000..cfcada06b
--- /dev/null
+++ b/src/mesa_pd/mpi/ContactFilter.h
@@ -0,0 +1,158 @@
+//======================================================================================================================
+//
+// This file is part of waLBerla. waLBerla is free software: you can
+// redistribute it and/or modify it under the terms of the GNU General Public
+// License as published by the Free Software Foundation, either version 3 of
+// the License, or (at your option) any later version.
+//
+// waLBerla is distributed in the hope that it will be useful, but WITHOUT
+// ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
+// FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License
+// for more details.
+//
+// You should have received a copy of the GNU General Public License along
+// with waLBerla (see COPYING.txt). If not, see <http://www.gnu.org/licenses/>.
+//
+//! \file ContactFilter.h
+//! \author Sebastian Eibl <sebastian.eibl@fau.de>
+//
+//======================================================================================================================
+
+#pragma once
+
+#include <mesa_pd/data/DataTypes.h>
+#include <mesa_pd/domain/IDomain.h>
+
+#include <core/logging/Logging.h>
+#include <core/mpi/MPIManager.h>
+
+namespace walberla {
+namespace mesa_pd {
+namespace mpi {
+
+/**
+ * Contact filter for parallel execution of collision detection.
+ *
+ * This contact filter decides if a contact should be treated on this process.
+ * Contact filtering has to be applied to avoid double treatment by multiple processes.
+ */
+class ContactFilter
+{
+public:
+ ContactFilter() = default;
+ ContactFilter(const ContactFilter& other) = default;
+ ContactFilter(ContactFilter&& other) = default;
+ ContactFilter& operator=(const ContactFilter& other) = default;
+ ContactFilter& operator=(ContactFilter&& other) = default;
+
+ /**
+ * \param idx1 index of the first collision partner
+ * \param idx2 index of the second collision partner
+ * \param ac accessor data structure to access particle properties
+ * \param contactPoint contact point of the two particles
+ * \param domain domain datastructure
+ * \return true if the contact should be treated by this process
+ */
+ template <typename Accessor>
+ bool operator()( const size_t idx1,
+ const size_t idx2,
+ Accessor& ac,
+ const Vec3& contactPoint,
+ const domain::IDomain& domain ) const;
+private:
+ uint_t myRank_ = uint_c( walberla::mpi::MPIManager::instance()->rank() );
+};
+
+template <typename Accessor>
+inline bool ContactFilter::operator()( const size_t idx1,
+ const size_t idx2,
+ Accessor& ac,
+ const Vec3& contactPoint,
+ const domain::IDomain& domain ) const
+{
+ /* Contact filtering rules
+ *
+ * L: Local body
+ * G: Global body
+ * R: Remote body
+ *
+ * Option 1: Option 2:
+ * +---+---+---+---+ +---+---+---+---+
+ * | | L | G | R | | | L | G | R |
+ * +---+---+---+---+ +---+---+---+---+
+ * | L | + | + | * | | L |§/+| + | § |
+ * +---+---+---+---+ +---+---+---+---+
+ * | G | + | ~ | - | | G | + | ~ | - |
+ * +---+---+---+---+ +---+---+---+---+
+ * | R | * | - | # | | R | § | - | § |
+ * +---+---+---+---+ +---+---+---+---+
+ *
+ * + Accept contact unconditionally
+ * - Reject contact unconditionally
+ * * Accept contact if we own the contact point
+ * # Accept contact if we own the contact point and the owners of the involved bodies are not the same
+ * ~ Accept contact only on root process
+ * § Accept contact if we are the owner with the smallest rank witnessing the contact or if none of the owners witness the contact and we are the process with the smallest rank witnessing the contact
+ *
+ * Note: Local-global contacts actually require a reduction of the contact reactions applied to the global body (unless it is fixed).
+ * => MPI_Allreduce for all non-fixed global bodies before time-integration.
+ */
+
+ if( !data::particle_flags::isSet( ac.getFlags(idx1), data::particle_flags::GHOST) &&
+ !data::particle_flags::isSet( ac.getFlags(idx2), data::particle_flags::GHOST) )
+ {
+ // local-local, local-global, global-global contacts
+
+ if( data::particle_flags::isSet( ac.getFlags(idx1), data::particle_flags::GLOBAL) &&
+ data::particle_flags::isSet( ac.getFlags(idx2), data::particle_flags::GLOBAL) )
+ {
+ // Resolve global-global contacts only on root process
+ if( myRank_ != 0 )
+ {
+ WALBERLA_LOG_DETAIL( "Rejecting global-global contact " << contactPoint << " on non-root process." );
+ return false;
+ }
+ } else
+ {
+ // Always resolve local-local and local-global contacts even if they are outside of our domain
+ return true;
+ }
+ } else
+ {
+ // local-remote, global-remote or remote-remote contact
+
+ if( data::particle_flags::isSet( ac.getFlags(idx1), data::particle_flags::GLOBAL) ||
+ data::particle_flags::isSet( ac.getFlags(idx2), data::particle_flags::GLOBAL) )
+ {
+ // Never resolve remote-global contacts
+ WALBERLA_LOG_DETAIL( "Rejecting global-remote contact " << contactPoint << "." );
+ return false;
+ } else if( data::particle_flags::isSet( ac.getFlags(idx1), data::particle_flags::GHOST) &&
+ data::particle_flags::isSet( ac.getFlags(idx2), data::particle_flags::GHOST) &&
+ ac.getOwner(idx1) == ac.getOwner(idx2) )
+ {
+ WALBERLA_LOG_DETAIL( "Rejecting remote-remote contact since it will be a local-local contact at the owner process: " << contactPoint << "." );
+ return false;
+ } else
+ {
+ if( !domain.isContainedInProcessSubdomain(myRank_, contactPoint ) )
+ {
+ if( data::particle_flags::isSet( ac.getFlags(idx1), data::particle_flags::GHOST) &&
+ data::particle_flags::isSet( ac.getFlags(idx2), data::particle_flags::GHOST) )
+ {
+ WALBERLA_LOG_DETAIL( "Rejecting remote-remote contact " << contactPoint << " since we don't own it." );
+ return false;
+ } else
+ {
+ WALBERLA_LOG_DETAIL( "Rejecting remote-local contact " << contactPoint << " since we don't own it." );
+ return false;
+ }
+ }
+ }
+ }
+ return true;
+}
+
+} //namespace mpi
+} //namespace mesa_pd
+} //namespace walberla
diff --git a/src/mesa_pd/mpi/ReduceContactHistory.h b/src/mesa_pd/mpi/ReduceContactHistory.h
new file mode 100644
index 000000000..80606f776
--- /dev/null
+++ b/src/mesa_pd/mpi/ReduceContactHistory.h
@@ -0,0 +1,113 @@
+//======================================================================================================================
+//
+// This file is part of waLBerla. waLBerla is free software: you can
+// redistribute it and/or modify it under the terms of the GNU General Public
+// License as published by the Free Software Foundation, either version 3 of
+// the License, or (at your option) any later version.
+//
+// waLBerla is distributed in the hope that it will be useful, but WITHOUT
+// ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
+// FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License
+// for more details.
+//
+// You should have received a copy of the GNU General Public License along
+// with waLBerla (see COPYING.txt). If not, see <http://www.gnu.org/licenses/>.
+//
+//! \file ReduceContactHistory.h
+//! \author Sebastian Eibl <sebastian.eibl@fau.de>
+//
+//======================================================================================================================
+
+//======================================================================================================================
+//
+// THIS FILE IS GENERATED - PLEASE CHANGE THE TEMPLATE !!!
+//
+//======================================================================================================================
+
+#pragma once
+
+#include <mesa_pd/data/ContactHistory.h>
+#include <mesa_pd/data/ParticleStorage.h>
+
+#include <mesa_pd/kernel/ParticleSelector.h>
+
+#include <mesa_pd/mpi/notifications/ContactHistoryNotification.h>
+#include <mesa_pd/mpi/ReduceProperty.h>
+
+#include <core/logging/Logging.h>
+
+namespace walberla {
+namespace mesa_pd {
+namespace mpi {
+
+/**
+ * Reduces all contact history from ghost particles to the master particle.
+ *
+ * \attention
+ * This kernel *only* reduces the contact history. You have to manually
+ * broadcast it to ghost particles if needed. This can be done by either
+ * using BroadcastProperty or SyncNextNeighbors.
+ *
+ * \par Usage:
+ * The contact history aggregated by a call to this kernel is available in
+ * oldContactHistory. Use this data to write the current contact history
+ * to newContactHistory. The next call to this kernel will delete all
+ * contact data which is not stored in newContactHistory!
+ *
+ * \pre
+ * - up to date contact information has to be stored in newContactHistory
+ * - only contact information of local contacts should be stored
+ * - data in oldContactHistory will be overwritten
+ *
+ * \post
+ * - oldContactHistory for the master particle contains the reduced data
+ * - oldContactHistory for ghost particles is empty
+ * - newContactHistory is empty for master as well as ghost particles
+ *
+ * \internal
+ * Two contact histories are needed to decided which contacts are still persistent and
+ * which have been separated. OldContactHistory stores all contact information from the last
+ * time step. This can be used to populate newContactHistory. Processes should only populate
+ * newContactHistory if they have a persisting contact! During the reduce operation newContactHistory
+ * will be reduced effectively eliminating all contacts that have separated. Subsequently it
+ * is swapped with oldContactHistory to create the initial state. This is oldContactHistory
+ * has all information, newContactHistory is empty.
+ *
+ * \ingroup mesa_pd_mpi
+ */
+class ReduceContactHistory
+{
+public:
+ void operator()(data::ParticleStorage& ps) const;
+private:
+ ReduceProperty RP_;
+
+ int numProcesses_ = walberla::mpi::MPIManager::instance()->numProcesses();
+};
+
+void ReduceContactHistory::operator()(data::ParticleStorage& ps) const
+{
+ //no need to reduce if run with only one process
+ if (numProcesses_ != 1)
+ {
+ RP_.operator()<ContactHistoryNotification>(ps);
+ }
+
+ const auto size = ps.size();
+ for (size_t idx = 0; idx < size; ++idx)
+ {
+ if (!data::particle_flags::isSet( ps.getFlags(idx), data::particle_flags::GHOST) )
+ {
+ std::swap(ps.getOldContactHistoryRef(idx), ps.getNewContactHistoryRef(idx));
+ ps.getNewContactHistoryRef(idx).clear();
+ } else
+ {
+ ps.getOldContactHistoryRef(idx).clear();
+ ps.getNewContactHistoryRef(idx).clear();
+ }
+ }
+}
+
+} // namespace mpi
+} // namespace mesa_pd
+} // namespace walberla
\ No newline at end of file
diff --git a/src/mesa_pd/mpi/ReduceProperty.h b/src/mesa_pd/mpi/ReduceProperty.h
new file mode 100644
index 000000000..22ca078f1
--- /dev/null
+++ b/src/mesa_pd/mpi/ReduceProperty.h
@@ -0,0 +1,144 @@
+//======================================================================================================================
+//
+// This file is part of waLBerla. waLBerla is free software: you can
+// redistribute it and/or modify it under the terms of the GNU General Public
+// License as published by the Free Software Foundation, either version 3 of
+// the License, or (at your option) any later version.
+//
+// waLBerla is distributed in the hope that it will be useful, but WITHOUT
+// ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
+// FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License
+// for more details.
+//
+// You should have received a copy of the GNU General Public License along
+// with waLBerla (see COPYING.txt). If not, see <http://www.gnu.org/licenses/>.
+//
+//! \file SyncProperty.h
+//! \author Sebastian Eibl <sebastian.eibl@fau.de>
+//
+//======================================================================================================================
+
+//======================================================================================================================
+//
+// THIS FILE IS GENERATED - PLEASE CHANGE THE TEMPLATE !!!
+//
+//======================================================================================================================
+
+#pragma once
+
+#include <mesa_pd/data/DataTypes.h>
+#include <mesa_pd/data/Flags.h>
+#include <mesa_pd/data/ParticleStorage.h>
+
+#include <core/mpi/BufferSystem.h>
+#include <core/logging/Logging.h>
+
+#include <type_traits>
+
+namespace walberla {
+namespace mesa_pd {
+namespace mpi {
+
+/**
+ * Reduce a property from all ghost particles to the corresponding master particle.
+ *
+ * \attention
+ * This kernel does not broadcast the reduced property to all ghost particles. Use
+ * BroadcastProperty or SyncNextNeighbors for that.
+ *
+ * \par Usage:
+ * The property which will be reduced can be selected by the Notification template
+ * (see ForceTorqueNotification).
+ * void reduce(data::Particle&& p, const Notification::Parameters& objparam)
+ * will be called to reduce the all incoming properties.
+ *
+ * \pre
+ * - the property is up to date on all ghost particles
+ *
+ * \post
+ * - the property at all ghost particles stays unchanged
+ * - the property at the master particle is the reduced one
+ *
+ * \ingroup mesa_pd_mpi
+ */
+class ReduceProperty
+{
+public:
+ template <typename Notification>
+ void operator()(data::ParticleStorage& ps) const;
+
+ int64_t getBytesSent() const { return bs.getBytesSent(); }
+ int64_t getBytesReceived() const { return bs.getBytesReceived(); }
+
+ int64_t getNumberOfSends() const { return bs.getNumberOfSends(); }
+ int64_t getNumberOfReceives() const { return bs.getNumberOfReceives(); }
+private:
+ mutable walberla::mpi::BufferSystem bs = walberla::mpi::BufferSystem(walberla::mpi::MPIManager::instance()->comm() );
+
+ int numProcesses_ = walberla::mpi::MPIManager::instance()->numProcesses();
+};
+
+template <typename Notification>
+void ReduceProperty::operator()(data::ParticleStorage& ps) const
+{
+ if (numProcesses_ == 1) return;
+
+ std::set<int> recvRanks; // potential message senders
+
+ WALBERLA_LOG_DETAIL( "Assembling of property reduction message starts...");
+
+ for( auto p : ps )
+ {
+ if (data::particle_flags::isSet( p.getFlags(), data::particle_flags::GHOST))
+ {
+ //ghost particles should send their property
+ auto& sb = bs.sendBuffer(p.getOwner());
+ if (sb.isEmpty())
+ {
+ // fill empty buffers with a dummy byte to force transmission
+ sb << walberla::uint8_c(0);
+ }
+
+ sb << Notification( p );
+ } else
+ {
+ //local particles should receive the property and sum it up
+ for (auto& ghostRank : p.getGhostOwners())
+ {
+ recvRanks.insert(ghostRank);
+ }
+ }
+ }
+
+ WALBERLA_LOG_DETAIL( "Assembling of property reduction message ended." );
+
+ bs.setReceiverInfo(recvRanks, true);
+ bs.sendAll();
+
+ // Receiving the updates for the remote rigid bodies from the connected processes
+ WALBERLA_LOG_DETAIL( "Parsing of property reduction message starts..." );
+ for( auto it = bs.begin(); it != bs.end(); ++it )
+ {
+ walberla::uint8_t tmp;
+ it.buffer() >> tmp;
+ while( !it.buffer().isEmpty() )
+ {
+ typename Notification::Parameters objparam;
+ it.buffer() >> objparam;
+
+ WALBERLA_LOG_DETAIL( "Received reduction notification from neighboring process with rank " << it.rank() );
+
+ auto pIt = ps.find( objparam.uid_ );
+ WALBERLA_CHECK_UNEQUAL( pIt, ps.end() );
+
+ reduce(*pIt, objparam);
+
+ WALBERLA_LOG_DETAIL( "Processed reduction notification for particle " << objparam.uid_ << "." );
+ }
+ }
+ WALBERLA_LOG_DETAIL( "Parsing of property reduction message ended." );
+}
+
+} // namespace mpi
+} // namespace mesa_pd
+} // namespace walberla
\ No newline at end of file
diff --git a/src/mesa_pd/mpi/SyncNextNeighbors.cpp b/src/mesa_pd/mpi/SyncNextNeighbors.cpp
new file mode 100644
index 000000000..bdbfc24eb
--- /dev/null
+++ b/src/mesa_pd/mpi/SyncNextNeighbors.cpp
@@ -0,0 +1,267 @@
+//======================================================================================================================
+//
+// This file is part of waLBerla. waLBerla is free software: you can
+// redistribute it and/or modify it under the terms of the GNU General Public
+// License as published by the Free Software Foundation, either version 3 of
+// the License, or (at your option) any later version.
+//
+// waLBerla is distributed in the hope that it will be useful, but WITHOUT
+// ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
+// FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License
+// for more details.
+//
+// You should have received a copy of the GNU General Public License along
+// with waLBerla (see COPYING.txt). If not, see <http://www.gnu.org/licenses/>.
+//
+//! \file SyncNextNeighbors.cpp
+//! \author Sebastian Eibl <sebastian.eibl@fau.de>
+//
+//======================================================================================================================
+
+//======================================================================================================================
+//
+// THIS FILE IS GENERATED - PLEASE CHANGE THE TEMPLATE !!!
+//
+//======================================================================================================================
+
+#include "SyncNextNeighbors.h"
+
+namespace walberla {
+namespace mesa_pd {
+namespace mpi {
+
+void SyncNextNeighbors::operator()(data::ParticleStorage& ps,
+ const domain::IDomain& domain,
+ const real_t dx) const
+{
+ if (numProcesses_ == 1) return;
+
+ neighborRanks_ = domain.getNeighborProcesses();
+ for( uint_t nbProcessRank : neighborRanks_ )
+ {
+ if (bs.sendBuffer(nbProcessRank).isEmpty())
+ {
+ // fill empty buffers with a dummy byte to force transmission
+ bs.sendBuffer(nbProcessRank) << walberla::uint8_c(0);
+ }
+ }
+ generateSynchronizationMessages(ps, domain, dx);
+
+ // size of buffer is unknown and changes with each send
+ bs.setReceiverInfoFromSendBufferState(false, true);
+ bs.sendAll();
+
+ // Receiving the updates for the remote rigid bodies from the connected processes
+ WALBERLA_LOG_DETAIL( "Parsing of particle synchronization response starts..." );
+ ParseMessage parseMessage;
+ for( auto it = bs.begin(); it != bs.end(); ++it )
+ {
+ walberla::uint8_t tmp;
+ it.buffer() >> tmp;
+ while( !it.buffer().isEmpty() )
+ {
+ parseMessage(it.rank(), it.buffer(), ps, domain);
+ }
+ }
+ WALBERLA_LOG_DETAIL( "Parsing of particle synchronization response ended." );
+}
+
+/**
+ * Removes a particle from the local storage and informs ghost particle holders.
+ *
+ * This function removes the particle from the particle storage and generates deletion notifications.
+ */
+inline
+data::ParticleStorage::iterator removeAndNotify( walberla::mpi::BufferSystem& bs,
+ data::ParticleStorage& ps,
+ data::ParticleStorage::iterator& pIt )
+{
+ WALBERLA_ASSERT( !data::particle_flags::isSet( pIt->getFlags(), data::particle_flags::GHOST),
+ "Trying to remove ghost particle from the particle storage." );
+
+ WALBERLA_ASSERT( !data::particle_flags::isSet( pIt->getFlags(), data::particle_flags::GLOBAL),
+ "Trying to remove a global particle from the particle storage." );
+
+ if( !pIt->getGhostOwners().empty() )
+ {
+ // Notify registered processes (intersecting or interacting) of particle removal since they possess a shadow copy.
+ for( auto ghostRank : pIt->getGhostOwnersRef() )
+ {
+ WALBERLA_LOG_DETAIL( "__Notify registered process " << ghostRank << " of deletion of particle " << pIt->getUid() );
+ auto& sb = bs.sendBuffer(ghostRank);
+ if (sb.isEmpty()) sb << walberla::uint8_c(0);
+ packNotification(sb, ParticleRemovalNotification( *pIt ));
+ }
+ }
+
+ pIt->getGhostOwnersRef().clear();
+ return ps.erase( pIt );
+}
+
+void SyncNextNeighbors::generateSynchronizationMessages(data::ParticleStorage& ps,
+ const domain::IDomain& domain,
+ const real_t dx) const
+{
+ const uint_t ownRank = uint_c(rank_);
+
+ WALBERLA_LOG_DETAIL( "Assembling of particle synchronization message starts..." );
+
+ // position update
+ for( auto pIt = ps.begin(); pIt != ps.end(); )
+ {
+ //skip all ghost particles
+ if (data::particle_flags::isSet( pIt->getFlags(), data::particle_flags::GHOST))
+ {
+ ++pIt;
+ continue;
+ }
+
+ //skip all particles that do not communicate (create ghost particles) on other processes
+ if (data::particle_flags::isSet( pIt->getFlags(), data::particle_flags::NON_COMMUNICATING))
+ {
+ ++pIt;
+ continue;
+ }
+
+ if (domain.isContainedInLocalSubdomain(pIt->getPosition(), pIt->getInteractionRadius()))
+ {
+ //no sync needed
+ //just delete ghost particles if there are any
+
+ for (const auto& ghostOwner : pIt->getGhostOwners() )
+ {
+ auto& buffer( bs.sendBuffer(ghostOwner) );
+
+ WALBERLA_LOG_DETAIL( "Sending removal notification for particle " << pIt->getUid() << " to process " << ghostOwner );
+
+ packNotification(buffer, ParticleRemovalNotification( *pIt ));
+ }
+
+ pIt->getGhostOwnersRef().clear();
+
+ ++pIt;
+ continue;
+ }
+
+ //correct position to make sure particle is always inside the domain!
+ //everything is decided by the master particle therefore ghost particles are not touched
+ if (!data::particle_flags::isSet( pIt->getFlags(), data::particle_flags::FIXED) &&
+ !data::particle_flags::isSet( pIt->getFlags(), data::particle_flags::GHOST))
+ {
+ domain.periodicallyMapToDomain( pIt->getPositionRef() );
+ }
+
+ // Note: At this point we know that the particle was locally owned before the position update.
+ WALBERLA_CHECK_EQUAL(pIt->getOwner(), ownRank);
+
+ WALBERLA_LOG_DETAIL( "Processing local particle " << pIt->getUid() );
+
+ // Update nearest neighbor processes.
+ for( uint_t nbProcessRank : neighborRanks_ )
+ {
+ if( domain.intersectsWithProcessSubdomain( nbProcessRank, pIt->getPosition(), pIt->getInteractionRadius() + dx ) )
+ {
+ auto ghostOwnerIt = std::find( pIt->getGhostOwners().begin(), pIt->getGhostOwners().end(), nbProcessRank );
+ if( ghostOwnerIt != pIt->getGhostOwners().end() )
+ {
+ // already a ghost there -> update
+ auto& buffer( bs.sendBuffer(nbProcessRank) );
+ WALBERLA_LOG_DETAIL( "Sending update notification for particle " << pIt->getUid() << " to process " << (nbProcessRank) );
+ packNotification(buffer, ParticleUpdateNotification( *pIt ));
+ } else
+ {
+ // no ghost there -> create ghost
+ auto& buffer( bs.sendBuffer(nbProcessRank) );
+ WALBERLA_LOG_DETAIL( "Sending shadow copy notification for particle " << pIt->getUid() << " to process " << (nbProcessRank) );
+ packNotification(buffer, ParticleCopyNotification( *pIt ));
+ pIt->getGhostOwnersRef().emplace_back( int_c(nbProcessRank) );
+ }
+ }
+ else
+ {
+ //no overlap with neighboring process -> delete if ghost is there
+ auto ghostOwnerIt = std::find( pIt->getGhostOwners().begin(), pIt->getGhostOwners().end(), nbProcessRank );
+ if( ghostOwnerIt != pIt->getGhostOwners().end() )
+ {
+ // In case the rigid particle no longer intersects the remote process nor interacts with it but is registered,
+ // send removal notification.
+ auto& buffer( bs.sendBuffer(nbProcessRank) );
+
+ WALBERLA_LOG_DETAIL( "Sending removal notification for particle " << pIt->getUid() << " to process " << nbProcessRank );
+
+ packNotification(buffer, ParticleRemovalNotification( *pIt ));
+
+ pIt->getGhostOwnersRef().erase(ghostOwnerIt);
+ }
+ }
+ }
+
+ //particle has left subdomain?
+ const auto ownerRank = domain.findContainingProcessRank( pIt->getPosition() );
+ if( ownerRank != int_c(ownRank) )
+ {
+ WALBERLA_LOG_DETAIL( "Local particle " << pIt->getUid() << " is no longer on process " << ownRank << " but on process " << ownerRank );
+
+ if( ownerRank < 0 ) {
+ // No owner found: Outflow condition.
+ WALBERLA_LOG_DETAIL( "Sending deletion notifications for particle " << pIt->getUid() << " due to outflow." );
+
+ // Registered processes receive removal notification in the remove() routine.
+ pIt = removeAndNotify( bs, ps, pIt );
+
+ continue;
+ }
+
+ WALBERLA_LOG_DETAIL( "Sending migration notification for particle " << pIt->getUid() << " to process " << ownerRank << "." );
+ //WALBERLA_LOG_DETAIL( "Process registration list before migration: " << pIt->getGhostOwners() );
+
+ // Set new owner and transform to ghost particle
+ pIt->setOwner(ownerRank);
+ data::particle_flags::set( pIt->getFlagsRef(), data::particle_flags::GHOST );
+
+ // currently position is mapped to periodically to global domain,
+ // this might not be the correct position for a ghost particle
+ domain.correctParticlePosition( pIt->getPositionRef() );
+
+ // Correct registration list (exclude new owner and us - the old owner) and
+ // notify registered processes (except for new owner) of (remote) migration since they possess a ghost particle.
+ auto ownerIt = std::find( pIt->getGhostOwners().begin(), pIt->getGhostOwners().end(), ownerRank );
+ WALBERLA_CHECK_UNEQUAL(ownerIt, pIt->getGhostOwners().end(), "New owner has to be former ghost owner!" );
+
+ pIt->getGhostOwnersRef().erase( ownerIt );
+
+ for( auto ghostRank : pIt->getGhostOwners() )
+ {
+ auto& buffer( bs.sendBuffer(ghostRank) );
+
+ WALBERLA_LOG_DETAIL( "Sending remote migration notification for particle " << pIt->getUid() <<
+ " to process " << ghostRank );
+
+ packNotification(buffer, ParticleRemoteMigrationNotification( *pIt, ownerRank ));
+ }
+
+ pIt->getGhostOwnersRef().emplace_back( int_c(ownRank) );
+
+ // Send migration notification to new owner
+ auto& buffer( bs.sendBuffer(ownerRank) );
+ packNotification(buffer, ParticleMigrationNotification( *pIt ));
+
+ pIt->getGhostOwnersRef().clear();
+
+ continue;
+
+ } else
+ {
+ // particle still is locally owned after position update.
+ WALBERLA_LOG_DETAIL( "Owner of particle " << pIt->getUid() << " is still process " << pIt->getOwner() );
+ }
+
+ ++pIt;
+ }
+
+ WALBERLA_LOG_DETAIL( "Assembling of particle synchronization message ended." );
+}
+
+} // namespace mpi
+} // namespace mesa_pd
+} // namespace walberla
\ No newline at end of file
diff --git a/src/mesa_pd/mpi/SyncNextNeighbors.h b/src/mesa_pd/mpi/SyncNextNeighbors.h
new file mode 100644
index 000000000..e1007e7f9
--- /dev/null
+++ b/src/mesa_pd/mpi/SyncNextNeighbors.h
@@ -0,0 +1,79 @@
+//======================================================================================================================
+//
+// This file is part of waLBerla. waLBerla is free software: you can
+// redistribute it and/or modify it under the terms of the GNU General Public
+// License as published by the Free Software Foundation, either version 3 of
+// the License, or (at your option) any later version.
+//
+// waLBerla is distributed in the hope that it will be useful, but WITHOUT
+// ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
+// FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License
+// for more details.
+//
+// You should have received a copy of the GNU General Public License along
+// with waLBerla (see COPYING.txt). If not, see <http://www.gnu.org/licenses/>.
+//
+//! \file SyncNextNeighbors.h
+//! \author Sebastian Eibl <sebastian.eibl@fau.de>
+//
+//======================================================================================================================
+
+//======================================================================================================================
+//
+// THIS FILE IS GENERATED - PLEASE CHANGE THE TEMPLATE !!!
+//
+//======================================================================================================================
+
+#pragma once
+
+#include <mesa_pd/data/DataTypes.h>
+#include <mesa_pd/data/Flags.h>
+#include <mesa_pd/data/ParticleStorage.h>
+#include <mesa_pd/domain/IDomain.h>
+#include <mesa_pd/mpi/notifications/PackNotification.h>
+#include <mesa_pd/mpi/notifications/ParseMessage.h>
+#include <mesa_pd/mpi/notifications/ParticleCopyNotification.h>
+#include <mesa_pd/mpi/notifications/ParticleMigrationNotification.h>
+#include <mesa_pd/mpi/notifications/ParticleRemoteMigrationNotification.h>
+#include <mesa_pd/mpi/notifications/ParticleRemovalNotification.h>
+#include <mesa_pd/mpi/notifications/ParticleUpdateNotification.h>
+
+#include <core/mpi/BufferSystem.h>
+#include <core/logging/Logging.h>
+
+namespace walberla {
+namespace mesa_pd {
+namespace mpi {
+
+/**
+ * Kernel which updates all ghost particles.
+ *
+ * \ingroup mesa_pd_mpi
+ */
+class SyncNextNeighbors
+{
+public:
+ void operator()(data::ParticleStorage& ps,
+ const domain::IDomain& domain,
+ const real_t dx = real_t(0)) const;
+
+ int64_t getBytesSent() const { return bs.getBytesSent(); }
+ int64_t getBytesReceived() const { return bs.getBytesReceived(); }
+
+ int64_t getNumberOfSends() const { return bs.getNumberOfSends(); }
+ int64_t getNumberOfReceives() const { return bs.getNumberOfReceives(); }
+private:
+ void generateSynchronizationMessages(data::ParticleStorage& ps,
+ const domain::IDomain& domain,
+ const real_t dx) const;
+ mutable std::vector<uint_t> neighborRanks_; ///cache for neighbor ranks -> will be updated in operator()
+
+ mutable walberla::mpi::BufferSystem bs = walberla::mpi::BufferSystem( walberla::mpi::MPIManager::instance()->comm() );
+
+ int numProcesses_ = walberla::mpi::MPIManager::instance()->numProcesses();
+ int rank_ = walberla::mpi::MPIManager::instance()->rank();
+};
+
+} // namespace mpi
+} // namespace mesa_pd
+} // namespace walberla
\ No newline at end of file
diff --git a/src/mesa_pd/mpi/mesa_pd_mpi.dox b/src/mesa_pd/mpi/mesa_pd_mpi.dox
new file mode 100644
index 000000000..a6e2e3e8e
--- /dev/null
+++ b/src/mesa_pd/mpi/mesa_pd_mpi.dox
@@ -0,0 +1,11 @@
+namespace walberla {
+namespace mesa_pd {
+
+/**
+ * \defgroup mesa_pd_mpi Communication functionality for MESA-PD module.
+ * \ingroup mesa_pd
+ * Description of all communication functions available in the MESA-PD module.
+**/
+
+}
+}
diff --git a/src/mesa_pd/mpi/notifications/ContactHistoryNotification.h b/src/mesa_pd/mpi/notifications/ContactHistoryNotification.h
new file mode 100644
index 000000000..c306f6c89
--- /dev/null
+++ b/src/mesa_pd/mpi/notifications/ContactHistoryNotification.h
@@ -0,0 +1,101 @@
+//======================================================================================================================
+//
+// This file is part of waLBerla. waLBerla is free software: you can
+// redistribute it and/or modify it under the terms of the GNU General Public
+// License as published by the Free Software Foundation, either version 3 of
+// the License, or (at your option) any later version.
+//
+// waLBerla is distributed in the hope that it will be useful, but WITHOUT
+// ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
+// FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License
+// for more details.
+//
+// You should have received a copy of the GNU General Public License along
+// with waLBerla (see COPYING.txt). If not, see <http://www.gnu.org/licenses/>.
+//
+//! \file ContactHistoryNotification.h
+//! \author Sebastian Eibl <sebastian.eibl@fau.de>
+//
+//======================================================================================================================
+
+//======================================================================================================================
+//
+// THIS FILE IS GENERATED - PLEASE CHANGE THE TEMPLATE !!!
+//
+//======================================================================================================================
+
+#pragma once
+
+#include <mesa_pd/data/ContactHistory.h>
+#include <mesa_pd/data/DataTypes.h>
+
+#include <core/mpi/BufferDataTypeExtensions.h>
+#include <core/mpi/Datatype.h>
+#include <core/mpi/RecvBuffer.h>
+#include <core/mpi/SendBuffer.h>
+
+#include <map>
+
+namespace walberla {
+namespace mesa_pd {
+
+/**
+ * Trasmits the contact history
+ */
+class ContactHistoryNotification
+{
+public:
+ struct Parameters
+ {
+ id_t uid_;
+ std::map<walberla::id_t, walberla::mesa_pd::data::ContactHistory> contactHistory_;
+ };
+
+ inline explicit ContactHistoryNotification( const data::Particle& p ) : p_(p) {}
+
+ const data::Particle& p_;
+};
+
+void reduce(data::Particle&& p, const ContactHistoryNotification::Parameters& objparam)
+{
+ auto& ch = p.getNewContactHistoryRef();
+ for (auto& entry : objparam.contactHistory_)
+ {
+ auto ret = ch.insert(entry);
+ WALBERLA_CHECK(ret.second, "entry already present: " << entry.first << " / " << entry.second);
+ }
+}
+
+} // namespace mesa_pd
+} // namespace walberla
+
+//======================================================================================================================
+//
+// Send/Recv Buffer Serialization Specialization
+//
+//======================================================================================================================
+
+namespace walberla {
+namespace mpi {
+
+template< typename T, // Element type of SendBuffer
+ typename G> // Growth policy of SendBuffer
+mpi::GenericSendBuffer<T,G>& operator<<( mpi::GenericSendBuffer<T,G> & buf, const mesa_pd::ContactHistoryNotification& obj )
+{
+ buf.addDebugMarker( "ft" );
+ buf << obj.p_.getUid();
+ buf << obj.p_.getNewContactHistory();
+ return buf;
+}
+
+template< typename T> // Element type of RecvBuffer
+mpi::GenericRecvBuffer<T>& operator>>( mpi::GenericRecvBuffer<T> & buf, mesa_pd::ContactHistoryNotification::Parameters& objparam )
+{
+ buf.readDebugMarker( "ft" );
+ buf >> objparam.uid_;
+ buf >> objparam.contactHistory_;
+ return buf;
+}
+
+} // mpi
+} // walberla
\ No newline at end of file
diff --git a/src/mesa_pd/mpi/notifications/ForceTorqueNotification.h b/src/mesa_pd/mpi/notifications/ForceTorqueNotification.h
new file mode 100644
index 000000000..c46f58724
--- /dev/null
+++ b/src/mesa_pd/mpi/notifications/ForceTorqueNotification.h
@@ -0,0 +1,113 @@
+//======================================================================================================================
+//
+// This file is part of waLBerla. waLBerla is free software: you can
+// redistribute it and/or modify it under the terms of the GNU General Public
+// License as published by the Free Software Foundation, either version 3 of
+// the License, or (at your option) any later version.
+//
+// waLBerla is distributed in the hope that it will be useful, but WITHOUT
+// ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
+// FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License
+// for more details.
+//
+// You should have received a copy of the GNU General Public License along
+// with waLBerla (see COPYING.txt). If not, see <http://www.gnu.org/licenses/>.
+//
+//! \file ParticlePropertyNotification.h
+//! \author Sebastian Eibl <sebastian.eibl@fau.de>
+//
+//======================================================================================================================
+
+//======================================================================================================================
+//
+// THIS FILE IS GENERATED - PLEASE CHANGE THE TEMPLATE !!!
+//
+//======================================================================================================================
+
+#pragma once
+
+#include <mesa_pd/data/DataTypes.h>
+#include <mesa_pd/data/ParticleStorage.h>
+#include <mesa_pd/mpi/notifications/NotificationType.h>
+
+#include <core/mpi/Datatype.h>
+#include <core/mpi/RecvBuffer.h>
+#include <core/mpi/SendBuffer.h>
+
+namespace walberla {
+namespace mesa_pd {
+
+/**
+ * Trasmits force and torque information.
+ */
+class ForceTorqueNotification
+{
+public:
+ struct Parameters
+ {
+ id_t uid_;
+ Vec3 force_;
+ Vec3 torque_;
+ };
+
+ inline explicit ForceTorqueNotification( const data::Particle& p ) : p_(p) {}
+
+ const data::Particle& p_;
+};
+
+void reduce(data::Particle&& p, const ForceTorqueNotification::Parameters& objparam)
+{
+ p.getForceRef() += objparam.force_;
+ p.getTorqueRef() += objparam.torque_;
+}
+
+void update(data::Particle&& p, const ForceTorqueNotification::Parameters& objparam)
+{
+ p.setForce( objparam.force_ );
+ p.setTorque( objparam.torque_ );
+}
+
+} // namespace mesa_pd
+} // namespace walberla
+
+//======================================================================================================================
+//
+// Send/Recv Buffer Serialization Specialization
+//
+//======================================================================================================================
+
+namespace walberla {
+namespace mpi {
+
+template< typename T, // Element type of SendBuffer
+ typename G> // Growth policy of SendBuffer
+mpi::GenericSendBuffer<T,G>& operator<<( mpi::GenericSendBuffer<T,G> & buf, const mesa_pd::ForceTorqueNotification& obj )
+{
+ buf.addDebugMarker( "ft" );
+ buf << obj.p_.getUid();
+ buf << obj.p_.getForce();
+ buf << obj.p_.getTorque();
+ return buf;
+}
+
+template< typename T> // Element type of RecvBuffer
+mpi::GenericRecvBuffer<T>& operator>>( mpi::GenericRecvBuffer<T> & buf, mesa_pd::ForceTorqueNotification::Parameters& objparam )
+{
+ buf.readDebugMarker( "ft" );
+ buf >> objparam.uid_;
+ buf >> objparam.force_;
+ buf >> objparam.torque_;
+ return buf;
+}
+
+template< >
+struct BufferSizeTrait< mesa_pd::ForceTorqueNotification > {
+ static const bool constantSize = true;
+ static const uint_t size = BufferSizeTrait<id_t>::size +
+ BufferSizeTrait<mesa_pd::Vec3>::size +
+ BufferSizeTrait<mesa_pd::Vec3>::size +
+ mpi::BUFFER_DEBUG_OVERHEAD;
+};
+
+} // mpi
+} // walberla
\ No newline at end of file
diff --git a/src/mesa_pd/mpi/notifications/HeatFluxNotification.h b/src/mesa_pd/mpi/notifications/HeatFluxNotification.h
new file mode 100644
index 000000000..6fee2c541
--- /dev/null
+++ b/src/mesa_pd/mpi/notifications/HeatFluxNotification.h
@@ -0,0 +1,107 @@
+//======================================================================================================================
+//
+// This file is part of waLBerla. waLBerla is free software: you can
+// redistribute it and/or modify it under the terms of the GNU General Public
+// License as published by the Free Software Foundation, either version 3 of
+// the License, or (at your option) any later version.
+//
+// waLBerla is distributed in the hope that it will be useful, but WITHOUT
+// ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
+// FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License
+// for more details.
+//
+// You should have received a copy of the GNU General Public License along
+// with waLBerla (see COPYING.txt). If not, see <http://www.gnu.org/licenses/>.
+//
+//! \file HeatFluxNotification.h
+//! \author Sebastian Eibl <sebastian.eibl@fau.de>
+//
+//======================================================================================================================
+
+//======================================================================================================================
+//
+// THIS FILE IS GENERATED - PLEASE CHANGE THE TEMPLATE !!!
+//
+//======================================================================================================================
+
+#pragma once
+
+#include <mesa_pd/data/DataTypes.h>
+#include <mesa_pd/data/ParticleStorage.h>
+#include <mesa_pd/mpi/notifications/NotificationType.h>
+
+#include <core/mpi/Datatype.h>
+#include <core/mpi/RecvBuffer.h>
+#include <core/mpi/SendBuffer.h>
+
+namespace walberla {
+namespace mesa_pd {
+
+/**
+ * Trasmits force and torque information.
+ */
+class HeatFluxNotification
+{
+public:
+ struct Parameters
+ {
+ id_t uid_;
+ real_t heatFlux_;
+ };
+
+ inline explicit HeatFluxNotification( const data::Particle& p ) : p_(p) {}
+
+ const data::Particle& p_;
+};
+
+void reduce(data::Particle&& p, const HeatFluxNotification::Parameters& objparam)
+{
+ p.getHeatFluxRef() += objparam.heatFlux_;
+}
+
+void update(data::Particle&& p, const HeatFluxNotification::Parameters& objparam)
+{
+ p.setHeatFlux( objparam.heatFlux_ );
+}
+
+} // namespace mesa_pd
+} // namespace walberla
+
+//======================================================================================================================
+//
+// Send/Recv Buffer Serialization Specialization
+//
+//======================================================================================================================
+
+namespace walberla {
+namespace mpi {
+
+template< typename T, // Element type of SendBuffer
+ typename G> // Growth policy of SendBuffer
+mpi::GenericSendBuffer<T,G>& operator<<( mpi::GenericSendBuffer<T,G> & buf, const mesa_pd::HeatFluxNotification& obj )
+{
+ buf.addDebugMarker( "hf" );
+ buf << obj.p_.getUid();
+ buf << obj.p_.getHeatFlux();
+ return buf;
+}
+
+template< typename T> // Element type of RecvBuffer
+mpi::GenericRecvBuffer<T>& operator>>( mpi::GenericRecvBuffer<T> & buf, mesa_pd::HeatFluxNotification::Parameters& objparam )
+{
+ buf.readDebugMarker( "hf" );
+ buf >> objparam.uid_;
+ buf >> objparam.heatFlux_;
+ return buf;
+}
+
+template< >
+struct BufferSizeTrait< mesa_pd::HeatFluxNotification > {
+ static const bool constantSize = true;
+ static const uint_t size = BufferSizeTrait<id_t>::size +
+ BufferSizeTrait<real_t>::size +
+ mpi::BUFFER_DEBUG_OVERHEAD;
+};
+
+} // mpi
+} // walberla
\ No newline at end of file
diff --git a/src/mesa_pd/mpi/notifications/NotificationType.h b/src/mesa_pd/mpi/notifications/NotificationType.h
new file mode 100644
index 000000000..572ad573b
--- /dev/null
+++ b/src/mesa_pd/mpi/notifications/NotificationType.h
@@ -0,0 +1,74 @@
+//======================================================================================================================
+//
+// This file is part of waLBerla. waLBerla is free software: you can
+// redistribute it and/or modify it under the terms of the GNU General Public
+// License as published by the Free Software Foundation, either version 3 of
+// the License, or (at your option) any later version.
+//
+// waLBerla is distributed in the hope that it will be useful, but WITHOUT
+// ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
+// FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License
+// for more details.
+//
+// You should have received a copy of the GNU General Public License along
+// with waLBerla (see COPYING.txt). If not, see <http://www.gnu.org/licenses/>.
+//
+//! \file NotificationType.h
+//! \author Tobias Preclik
+//! \author Sebastian Eibl <sebastian.eibl@fau.de>
+//! \brief Header file for the notification types
+//
+//======================================================================================================================
+
+#pragma once
+
+#include <core/DataTypes.h>
+
+namespace walberla {
+namespace mesa_pd {
+
+//=================================================================================================
+//
+// NOTIFICATION TYPES
+//
+//=================================================================================================
+
+//*************************************************************************************************
+//! Associate a unique number to notifications for identifying/tagging them.
+enum NotificationType : uint8_t
+{
+ PARTICLE_DELETION_NOTIFICATION = 1,
+ PARTICLE_REMOVAL_NOTIFICATION,
+ PARTICLE_COPY_NOTIFICATION,
+ PARTICLE_FORCE_NOTIFICATION,
+ PARTICLE_UPDATE_NOTIFICATION,
+ PARTICLE_MIGRATION_NOTIFICATION,
+ PARTICLE_REMOTE_MIGRATION_NOTIFICATION,
+ PARTICLE_VELOCITY_UPDATE_NOTIFICATION,
+ PARTICLE_VELOCITY_CORRECTION_NOTIFICATION,
+ NEW_GHOST_PARTICLE_NOTIFICATION,
+ PARTICLE_REMOVAL_INFORMATION_NOTIFICATION
+};
+//*************************************************************************************************
+
+
+
+
+//=================================================================================================
+//
+// NOTIFICATION UTILITY FUNCTIONS
+//
+//=================================================================================================
+
+/**
+ * Returns the notification type of the template parameter.
+ *
+ * To be specialized by the notifications.
+ * \return The notification type of the template parameter.
+ */
+template< typename V >
+struct NotificationTrait
+{};
+
+} // namespace mesa_pd
+} // namespace walberla
diff --git a/src/mesa_pd/mpi/notifications/PackNotification.h b/src/mesa_pd/mpi/notifications/PackNotification.h
new file mode 100644
index 000000000..fe3d5212b
--- /dev/null
+++ b/src/mesa_pd/mpi/notifications/PackNotification.h
@@ -0,0 +1,38 @@
+//======================================================================================================================
+//
+// This file is part of waLBerla. waLBerla is free software: you can
+// redistribute it and/or modify it under the terms of the GNU General Public
+// License as published by the Free Software Foundation, either version 3 of
+// the License, or (at your option) any later version.
+//
+// waLBerla is distributed in the hope that it will be useful, but WITHOUT
+// ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
+// FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License
+// for more details.
+//
+// You should have received a copy of the GNU General Public License along
+// with waLBerla (see COPYING.txt). If not, see <http://www.gnu.org/licenses/>.
+//
+//! \file PackNotification.h
+//! \author Sebastian Eibl <sebastian.eibl@fau.de>
+//
+//======================================================================================================================
+
+#pragma once
+
+#include "NotificationType.h"
+
+#include <core/mpi/SendBuffer.h>
+
+namespace walberla {
+namespace mesa_pd {
+
+template <class T>
+inline void packNotification(walberla::mpi::SendBuffer& sb, const T& notification)
+{
+ sb << NotificationTrait< T >::id;
+ sb << notification;
+}
+
+} // namespace mesa_pd
+} // namespace walberla
diff --git a/src/mesa_pd/mpi/notifications/ParseMessage.h b/src/mesa_pd/mpi/notifications/ParseMessage.h
new file mode 100644
index 000000000..6baade76d
--- /dev/null
+++ b/src/mesa_pd/mpi/notifications/ParseMessage.h
@@ -0,0 +1,193 @@
+//======================================================================================================================
+//
+// This file is part of waLBerla. waLBerla is free software: you can
+// redistribute it and/or modify it under the terms of the GNU General Public
+// License as published by the Free Software Foundation, either version 3 of
+// the License, or (at your option) any later version.
+//
+// waLBerla is distributed in the hope that it will be useful, but WITHOUT
+// ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
+// FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License
+// for more details.
+//
+// You should have received a copy of the GNU General Public License along
+// with waLBerla (see COPYING.txt). If not, see <http://www.gnu.org/licenses/>.
+//
+//! \file ParseMessage.h
+//! \author Sebastian Eibl <sebastian.eibl@fau.de>
+//! \brief Parsing of messages
+//
+//======================================================================================================================
+
+//======================================================================================================================
+//
+// THIS FILE IS GENERATED - PLEASE CHANGE THE TEMPLATE !!!
+//
+//======================================================================================================================
+
+#pragma once
+
+#include <mesa_pd/data/ParticleStorage.h>
+#include <mesa_pd/domain/IDomain.h>
+#include <mesa_pd/mpi/notifications/NotificationType.h>
+#include <mesa_pd/mpi/notifications/ParticleCopyNotification.h>
+#include <mesa_pd/mpi/notifications/ParticleMigrationNotification.h>
+#include <mesa_pd/mpi/notifications/ParticleRemoteMigrationNotification.h>
+#include <mesa_pd/mpi/notifications/ParticleRemovalNotification.h>
+#include <mesa_pd/mpi/notifications/ParticleUpdateNotification.h>
+
+#include <core/debug/Debug.h>
+#include <core/logging/Logging.h>
+#include <core/mpi/RecvBuffer.h>
+
+namespace walberla {
+namespace mesa_pd {
+
+class ParseMessage
+{
+public:
+ void operator()(int sender,
+ walberla::mpi::RecvBuffer& rb,
+ data::ParticleStorage& ps,
+ const domain::IDomain& domain);
+private:
+ int receiver_ = int_c( walberla::mpi::MPIManager::instance()->rank() );
+};
+
+inline
+void ParseMessage::operator()(int sender,
+ walberla::mpi::RecvBuffer& rb,
+ data::ParticleStorage& ps,
+ const domain::IDomain& domain)
+{
+ NotificationType notificationType;
+ rb >> notificationType;
+
+ switch( notificationType ) {
+ case PARTICLE_COPY_NOTIFICATION: {
+ typename ParticleCopyNotification::Parameters objparam;
+ rb >> objparam;
+
+ WALBERLA_LOG_DETAIL( "Received PARTICLE_COPY_NOTIFICATION for particle " << objparam.uid << "from neighboring process with rank " << sender );
+
+ WALBERLA_CHECK_EQUAL( ps.find(objparam.uid), ps.end(), "Ghost particle with id " << objparam.uid << " already existend.");
+
+ auto pIt = createNewParticle(ps, objparam);
+
+ domain.correctParticlePosition(pIt->getPositionRef());
+
+ WALBERLA_CHECK(!data::particle_flags::isSet(pIt->getFlags(), data::particle_flags::GHOST));
+ data::particle_flags::set(pIt->getFlagsRef(), data::particle_flags::GHOST);
+
+ WALBERLA_LOG_DETAIL( "Processed PARTICLE_COPY_NOTIFICATION for particle " << objparam.uid << "." );
+
+ break;
+ }
+ case PARTICLE_UPDATE_NOTIFICATION: {
+ typename ParticleUpdateNotification::Parameters objparam;
+ rb >> objparam;
+
+ WALBERLA_LOG_DETAIL( "Received PARTICLE_UPDATE_NOTIFICATION for particle " << objparam.uid <<
+ " from neighboring process with rank " << sender );
+
+ auto pIt = ps.find( objparam.uid );
+ WALBERLA_CHECK_UNEQUAL( pIt, ps.end() );
+
+ WALBERLA_CHECK_EQUAL( pIt->getOwner(), sender, "Update notifications must be sent by owner." );
+ WALBERLA_CHECK(data::particle_flags::isSet(pIt->getFlags(), data::particle_flags::GHOST),
+ "Update notification must only concern shadow copies.");
+ pIt->setUid(objparam.uid);
+ pIt->setPosition(objparam.position);
+ pIt->setRotation(objparam.rotation);
+ pIt->setAngularVelocity(objparam.angularVelocity);
+ pIt->setLinearVelocity(objparam.linearVelocity);
+ pIt->setOldContactHistory(objparam.oldContactHistory);
+ pIt->setTemperature(objparam.temperature);
+
+ domain.correctParticlePosition(pIt->getPositionRef());
+
+ WALBERLA_LOG_DETAIL( "Processed PARTICLE_UPDATE_NOTIFICATION." );
+
+ break;
+ }
+ case PARTICLE_MIGRATION_NOTIFICATION: {
+ ParticleMigrationNotification::Parameters objparam;
+ rb >> objparam;
+
+ WALBERLA_LOG_DETAIL( "Received PARTICLE_MIGRATION_NOTIFICATION for particle " << objparam.uid_ <<
+ " from neighboring process with rank " << sender );
+
+ auto pIt = ps.find( objparam.uid_ );
+ WALBERLA_CHECK_UNEQUAL( pIt, ps.end(),
+ "Object with id: " << objparam.uid_ << " not found! Cannot transfer ownership!" );
+ WALBERLA_CHECK_EQUAL( sender, pIt->getOwner(), "Migration notifications must be sent by previous owner.");
+ WALBERLA_CHECK(data::particle_flags::isSet(pIt->getFlags(), data::particle_flags::GHOST),
+ "Migration notification must only concern ghost particles");
+
+ WALBERLA_CHECK( domain.isContainedInProcessSubdomain( uint_c(receiver_), pIt->getPosition() ),
+ "Receiving particle migration even though we do not own it." );
+
+ pIt->setOwner(receiver_);
+ data::particle_flags::unset(pIt->getFlagsRef(), data::particle_flags::GHOST);
+ pIt->setGhostOwners(objparam.ghostOwners_);
+ pIt->setOldForce(objparam.oldForce_);
+ pIt->setOldTorque(objparam.oldTorque_);
+
+ WALBERLA_LOG_DETAIL( "Processed PARTICLE_MIGRATION_NOTIFICATION." );
+
+ break;
+ }
+ case PARTICLE_REMOTE_MIGRATION_NOTIFICATION: {
+ ParticleRemoteMigrationNotification::Parameters objparam;
+ rb >> objparam;
+
+ WALBERLA_LOG_DETAIL( "Received PARTICLE_REMOTE_MIGRATION_NOTIFICATION for particle " << objparam.uid_ <<
+ " from neighboring process with rank " << sender <<
+ " (previous owner):\nnew owner = " << objparam.newOwner_ );
+
+ auto pIt = ps.find( objparam.uid_ );
+ WALBERLA_CHECK_UNEQUAL( pIt, ps.end() );
+
+ WALBERLA_CHECK_EQUAL( sender, pIt->getOwner(),
+ "Remote migration notifications must be sent by previous owner." );
+ WALBERLA_CHECK(data::particle_flags::isSet(pIt->getFlags(), data::particle_flags::GHOST),
+ "Particles in remote migration notifications must be available as ghost particles in local process.");
+ WALBERLA_CHECK_UNEQUAL( objparam.newOwner_, receiver_,
+ "Particles in remote migration notifications may not migrate to local process." );
+
+ pIt->setOwner(objparam.newOwner_);
+
+ WALBERLA_LOG_DETAIL( "Processed PARTICLE_REMOTE_MIGRATION_NOTIFICATION." );
+
+ break;
+ }
+ case PARTICLE_REMOVAL_NOTIFICATION: {
+ ParticleRemovalNotification::Parameters objparam;
+ rb >> objparam;
+
+ WALBERLA_LOG_DETAIL( "Received PARTICLE_REMOVAL_NOTIFICATION for particle " << objparam.uid_ <<
+ " from neighboring process with rank " << sender << " (owner)." );
+
+ // Remove ghost particle as prompted.
+ auto pIt = ps.find( objparam.uid_ );
+ WALBERLA_CHECK_UNEQUAL( pIt, ps.end() );
+
+ WALBERLA_CHECK(data::particle_flags::isSet(pIt->getFlags(), data::particle_flags::GHOST),
+ "Only ghost particles should be removed by this message.");
+
+ WALBERLA_CHECK_EQUAL( pIt->getOwner(), sender,
+ "Only owner is allowed to send removal notifications." );
+
+ ps.erase(pIt);
+
+ WALBERLA_LOG_DETAIL( "Processed PARTICLE_REMOVAL_NOTIFICATION" );
+
+ break;
+ }
+ default:
+ throw std::runtime_error( "Received invalid notification type." );
+ }
+}
+
+} // namespace mesa_pd
+} // namespace walberla
\ No newline at end of file
diff --git a/src/mesa_pd/mpi/notifications/ParticleCopyNotification.h b/src/mesa_pd/mpi/notifications/ParticleCopyNotification.h
new file mode 100644
index 000000000..e58a0e750
--- /dev/null
+++ b/src/mesa_pd/mpi/notifications/ParticleCopyNotification.h
@@ -0,0 +1,150 @@
+//======================================================================================================================
+//
+// This file is part of waLBerla. waLBerla is free software: you can
+// redistribute it and/or modify it under the terms of the GNU General Public
+// License as published by the Free Software Foundation, either version 3 of
+// the License, or (at your option) any later version.
+//
+// waLBerla is distributed in the hope that it will be useful, but WITHOUT
+// ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
+// FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License
+// for more details.
+//
+// You should have received a copy of the GNU General Public License along
+// with waLBerla (see COPYING.txt). If not, see <http://www.gnu.org/licenses/>.
+//
+//! \file ParticleCopyNotification.h
+//! \author Sebastian Eibl <sebastian.eibl@fau.de>
+//
+//======================================================================================================================
+
+//======================================================================================================================
+//
+// THIS FILE IS GENERATED - PLEASE CHANGE THE TEMPLATE !!!
+//
+//======================================================================================================================
+
+#pragma once
+
+#include <mesa_pd/data/DataTypes.h>
+#include <mesa_pd/data/ParticleStorage.h>
+#include <mesa_pd/mpi/notifications/NotificationType.h>
+
+#include <core/mpi/Datatype.h>
+#include <core/mpi/RecvBuffer.h>
+#include <core/mpi/SendBuffer.h>
+
+namespace walberla {
+namespace mesa_pd {
+
+/**
+ * A complete particle copy for a new ghost particle.
+ *
+ * Copies all properties marked COPY or ALWAYS.
+ */
+class ParticleCopyNotification
+{
+public:
+ struct Parameters
+ {
+ walberla::id_t uid {UniqueID<data::Particle>::invalidID()};
+ walberla::mesa_pd::Vec3 position {real_t(0)};
+ walberla::real_t interactionRadius {real_t(0)};
+ walberla::mesa_pd::data::particle_flags::FlagT flags {};
+ int owner {-1};
+ size_t shapeID {};
+ walberla::mesa_pd::Rot3 rotation {};
+ walberla::mesa_pd::Vec3 angularVelocity {real_t(0)};
+ walberla::mesa_pd::Vec3 linearVelocity {real_t(0)};
+ walberla::real_t invMass {real_t(1)};
+ uint_t type {0};
+ std::map<walberla::id_t, walberla::mesa_pd::data::ContactHistory> oldContactHistory {};
+ walberla::real_t temperature {real_t(0)};
+ };
+
+ inline explicit ParticleCopyNotification( const data::Particle& particle ) : particle_(particle) {}
+ const data::Particle& particle_;
+};
+
+inline data::ParticleStorage::iterator createNewParticle(data::ParticleStorage& ps, const ParticleCopyNotification::Parameters& data)
+{
+ WALBERLA_ASSERT_EQUAL(ps.find(data.uid), ps.end(), "Particle with same uid already existent!");
+
+ auto pIt = ps.create(data.uid);
+ pIt->setUid(data.uid);
+ pIt->setPosition(data.position);
+ pIt->setInteractionRadius(data.interactionRadius);
+ pIt->setFlags(data.flags);
+ pIt->setOwner(data.owner);
+ pIt->setShapeID(data.shapeID);
+ pIt->setRotation(data.rotation);
+ pIt->setAngularVelocity(data.angularVelocity);
+ pIt->setLinearVelocity(data.linearVelocity);
+ pIt->setInvMass(data.invMass);
+ pIt->setType(data.type);
+ pIt->setOldContactHistory(data.oldContactHistory);
+ pIt->setTemperature(data.temperature);
+ return pIt;
+}
+
+template<>
+struct NotificationTrait<ParticleCopyNotification>
+{
+ static const NotificationType id = PARTICLE_COPY_NOTIFICATION;
+};
+
+} // namespace mesa_pd
+} // namespace walberla
+
+//======================================================================================================================
+//
+// Send/Recv Buffer Serialization Specialization
+//
+//======================================================================================================================
+
+namespace walberla {
+namespace mpi {
+
+template< typename T, // Element type of SendBuffer
+ typename G> // Growth policy of SendBuffer
+mpi::GenericSendBuffer<T,G>& operator<<( mpi::GenericSendBuffer<T,G> & buf, const mesa_pd::ParticleCopyNotification& obj )
+{
+ buf.addDebugMarker( "cn" );
+ buf << obj.particle_.getUid();
+ buf << obj.particle_.getPosition();
+ buf << obj.particle_.getInteractionRadius();
+ buf << obj.particle_.getFlags();
+ buf << obj.particle_.getOwner();
+ buf << obj.particle_.getShapeID();
+ buf << obj.particle_.getRotation();
+ buf << obj.particle_.getAngularVelocity();
+ buf << obj.particle_.getLinearVelocity();
+ buf << obj.particle_.getInvMass();
+ buf << obj.particle_.getType();
+ buf << obj.particle_.getOldContactHistory();
+ buf << obj.particle_.getTemperature();
+ return buf;
+}
+
+template< typename T> // Element type of RecvBuffer
+mpi::GenericRecvBuffer<T>& operator>>( mpi::GenericRecvBuffer<T> & buf, mesa_pd::ParticleCopyNotification::Parameters& objparam )
+{
+ buf.readDebugMarker( "cn" );
+ buf >> objparam.uid;
+ buf >> objparam.position;
+ buf >> objparam.interactionRadius;
+ buf >> objparam.flags;
+ buf >> objparam.owner;
+ buf >> objparam.shapeID;
+ buf >> objparam.rotation;
+ buf >> objparam.angularVelocity;
+ buf >> objparam.linearVelocity;
+ buf >> objparam.invMass;
+ buf >> objparam.type;
+ buf >> objparam.oldContactHistory;
+ buf >> objparam.temperature;
+ return buf;
+}
+
+} // mpi
+} // walberla
\ No newline at end of file
diff --git a/src/mesa_pd/mpi/notifications/ParticleMigrationNotification.h b/src/mesa_pd/mpi/notifications/ParticleMigrationNotification.h
new file mode 100644
index 000000000..095f62019
--- /dev/null
+++ b/src/mesa_pd/mpi/notifications/ParticleMigrationNotification.h
@@ -0,0 +1,104 @@
+//======================================================================================================================
+//
+// This file is part of waLBerla. waLBerla is free software: you can
+// redistribute it and/or modify it under the terms of the GNU General Public
+// License as published by the Free Software Foundation, either version 3 of
+// the License, or (at your option) any later version.
+//
+// waLBerla is distributed in the hope that it will be useful, but WITHOUT
+// ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
+// FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License
+// for more details.
+//
+// You should have received a copy of the GNU General Public License along
+// with waLBerla (see COPYING.txt). If not, see <http://www.gnu.org/licenses/>.
+//
+//! \file ParticleMigrationNotification.h
+//! \author Sebastian Eibl <sebastian.eibl@fau.de>
+//
+//======================================================================================================================
+
+//======================================================================================================================
+//
+// THIS FILE IS GENERATED - PLEASE CHANGE THE TEMPLATE !!!
+//
+//======================================================================================================================
+
+#pragma once
+
+#include <mesa_pd/data/ParticleStorage.h>
+#include <mesa_pd/mpi/notifications/NotificationType.h>
+
+#include <core/mpi/BufferDataTypeExtensions.h>
+#include <core/mpi/Datatype.h>
+#include <core/mpi/RecvBuffer.h>
+#include <core/mpi/SendBuffer.h>
+
+
+namespace walberla {
+namespace mesa_pd {
+
+/**
+ * Migrate the particle to this process. Making the receiver the new owner.
+ */
+class ParticleMigrationNotification {
+public:
+ struct Parameters {
+ id_t uid_;
+ std::vector<int> ghostOwners_ {};
+ walberla::mesa_pd::Vec3 oldForce_ {real_t(0)};
+ walberla::mesa_pd::Vec3 oldTorque_ {real_t(0)};
+ };
+
+ inline explicit ParticleMigrationNotification( const data::Particle& particle ) : particle_(particle) {}
+ const data::Particle& particle_;
+};
+
+template<>
+struct NotificationTrait<ParticleMigrationNotification>
+{
+ static const NotificationType id = PARTICLE_MIGRATION_NOTIFICATION;
+};
+
+} // namespace mesa_pd
+} // namespace walberla
+
+//======================================================================================================================
+//
+// Send/Recv Buffer Serialization Specialization
+//
+//======================================================================================================================
+
+namespace walberla {
+namespace mpi {
+
+template< typename T, // Element type of SendBuffer
+ typename G> // Growth policy of SendBuffer
+mpi::GenericSendBuffer<T,G>& operator<<( mpi::GenericSendBuffer<T,G> & buf, const mesa_pd::ParticleMigrationNotification& obj )
+{
+ buf.addDebugMarker( "mn" );
+ buf << obj.particle_.getUid();
+ buf << obj.particle_.getGhostOwners();
+ buf << obj.particle_.getOldForce();
+ buf << obj.particle_.getOldTorque();
+ return buf;
+}
+
+template< typename T> // Element type of RecvBuffer
+mpi::GenericRecvBuffer<T>& operator>>( mpi::GenericRecvBuffer<T> & buf, mesa_pd::ParticleMigrationNotification::Parameters& objparam )
+{
+ buf.readDebugMarker( "mn" );
+ buf >> objparam.uid_;
+ buf >> objparam.ghostOwners_;
+ buf >> objparam.oldForce_;
+ buf >> objparam.oldTorque_;
+ return buf;
+}
+
+template<>
+struct BufferSizeTrait< mesa_pd::ParticleMigrationNotification > {
+ static const bool constantSize = false;
+};
+
+} // mpi
+} // walberla
\ No newline at end of file
diff --git a/src/mesa_pd/mpi/notifications/ParticleRemoteMigrationNotification.h b/src/mesa_pd/mpi/notifications/ParticleRemoteMigrationNotification.h
new file mode 100644
index 000000000..dc406fa1d
--- /dev/null
+++ b/src/mesa_pd/mpi/notifications/ParticleRemoteMigrationNotification.h
@@ -0,0 +1,99 @@
+//======================================================================================================================
+//
+// This file is part of waLBerla. waLBerla is free software: you can
+// redistribute it and/or modify it under the terms of the GNU General Public
+// License as published by the Free Software Foundation, either version 3 of
+// the License, or (at your option) any later version.
+//
+// waLBerla is distributed in the hope that it will be useful, but WITHOUT
+// ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
+// FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License
+// for more details.
+//
+// You should have received a copy of the GNU General Public License along
+// with waLBerla (see COPYING.txt). If not, see <http://www.gnu.org/licenses/>.
+//
+//! \file ParticleRemoteMigrationNotification.h
+//! \author Sebastian Eibl <sebastian.eibl@fau.de>
+//
+//======================================================================================================================
+
+//======================================================================================================================
+//
+// THIS FILE IS GENERATED - PLEASE CHANGE THE TEMPLATE !!!
+//
+//======================================================================================================================
+
+#pragma once
+
+#include <mesa_pd/data/ParticleStorage.h>
+#include <mesa_pd/mpi/notifications/NotificationType.h>
+
+#include <core/mpi/Datatype.h>
+#include <core/mpi/RecvBuffer.h>
+#include <core/mpi/SendBuffer.h>
+
+namespace walberla {
+namespace mesa_pd {
+
+/**
+ * The ownership for one of the ghost particles has changed.
+ */
+class ParticleRemoteMigrationNotification {
+public:
+ struct Parameters {
+ id_t uid_;
+ int newOwner_;
+ };
+
+ inline ParticleRemoteMigrationNotification( const data::Particle& particle, const int& newOwner )
+ : particle_(particle), newOwner_(newOwner) {}
+ const data::Particle& particle_;
+ const int newOwner_;
+};
+
+template<>
+struct NotificationTrait<ParticleRemoteMigrationNotification>
+{
+ static const NotificationType id = PARTICLE_REMOTE_MIGRATION_NOTIFICATION;
+};
+
+} // namespace mesa_pd
+} // namespace walberla
+
+//======================================================================================================================
+//
+// Send/Recv Buffer Serialization Specialization
+//
+//======================================================================================================================
+
+namespace walberla {
+namespace mpi {
+
+template< typename T, // Element type of SendBuffer
+ typename G> // Growth policy of SendBuffer
+mpi::GenericSendBuffer<T,G>& operator<<( mpi::GenericSendBuffer<T,G> & buf, const mesa_pd::ParticleRemoteMigrationNotification& obj )
+{
+ buf.addDebugMarker( "rm" );
+ buf << obj.particle_.getUid();
+ buf << obj.newOwner_;
+ return buf;
+}
+
+template< typename T> // Element type of RecvBuffer
+mpi::GenericRecvBuffer<T>& operator>>( mpi::GenericRecvBuffer<T> & buf, mesa_pd::ParticleRemoteMigrationNotification::Parameters& objparam )
+{
+ buf.readDebugMarker( "rm" );
+ buf >> objparam.uid_;
+ buf >> objparam.newOwner_;
+ return buf;
+}
+
+template <>
+struct BufferSizeTrait< mesa_pd::ParticleRemoteMigrationNotification > {
+ static const bool constantSize = true;
+ static const uint_t size = BufferSizeTrait<id_t>::size + BufferSizeTrait<int>::size + mpi::BUFFER_DEBUG_OVERHEAD;
+};
+
+} // mpi
+} // walberla
\ No newline at end of file
diff --git a/src/mesa_pd/mpi/notifications/ParticleRemovalNotification.h b/src/mesa_pd/mpi/notifications/ParticleRemovalNotification.h
new file mode 100644
index 000000000..8740e43fd
--- /dev/null
+++ b/src/mesa_pd/mpi/notifications/ParticleRemovalNotification.h
@@ -0,0 +1,94 @@
+//======================================================================================================================
+//
+// This file is part of waLBerla. waLBerla is free software: you can
+// redistribute it and/or modify it under the terms of the GNU General Public
+// License as published by the Free Software Foundation, either version 3 of
+// the License, or (at your option) any later version.
+//
+// waLBerla is distributed in the hope that it will be useful, but WITHOUT
+// ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
+// FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License
+// for more details.
+//
+// You should have received a copy of the GNU General Public License along
+// with waLBerla (see COPYING.txt). If not, see <http://www.gnu.org/licenses/>.
+//
+//! \file ParticleRemovalNotification.h
+//! \author Sebastian Eibl <sebastian.eibl@fau.de>
+//
+//======================================================================================================================
+
+//======================================================================================================================
+//
+// THIS FILE IS GENERATED - PLEASE CHANGE THE TEMPLATE !!!
+//
+//======================================================================================================================
+
+#pragma once
+
+#include <mesa_pd/data/ParticleStorage.h>
+#include <mesa_pd/mpi/notifications/NotificationType.h>
+
+#include <core/mpi/Datatype.h>
+#include <core/mpi/RecvBuffer.h>
+#include <core/mpi/SendBuffer.h>
+
+namespace walberla {
+namespace mesa_pd {
+
+/**
+ * The specified particle should be removed from the process.
+ */
+class ParticleRemovalNotification {
+public:
+ struct Parameters {
+ id_t uid_;
+ };
+
+ inline explicit ParticleRemovalNotification( const data::Particle& particle ) : particle_(particle) {}
+ const data::Particle& particle_;
+};
+
+template<>
+struct NotificationTrait<ParticleRemovalNotification>
+{
+ static const NotificationType id = PARTICLE_REMOVAL_NOTIFICATION;
+};
+
+} // namespace mesa_pd
+} // namespace walberla
+
+//======================================================================================================================
+//
+// Send/Recv Buffer Serialization Specialization
+//
+//======================================================================================================================
+
+namespace walberla {
+namespace mpi {
+
+template< typename T, // Element type of SendBuffer
+ typename G> // Growth policy of SendBuffer
+mpi::GenericSendBuffer<T,G>& operator<<( mpi::GenericSendBuffer<T,G> & buf, const mesa_pd::ParticleRemovalNotification& obj )
+{
+ buf.addDebugMarker( "un" );
+ buf << obj.particle_.getUid();
+ return buf;
+}
+
+template< typename T> // Element type of RecvBuffer
+mpi::GenericRecvBuffer<T>& operator>>( mpi::GenericRecvBuffer<T> & buf, mesa_pd::ParticleRemovalNotification::Parameters& objparam )
+{
+ buf.readDebugMarker( "un" );
+ buf >> objparam.uid_;
+ return buf;
+}
+
+template<>
+struct BufferSizeTrait< mesa_pd::ParticleRemovalNotification > {
+ static const bool constantSize = true;
+ static const uint_t size = BufferSizeTrait<id_t>::size + mpi::BUFFER_DEBUG_OVERHEAD;
+};
+
+} // mpi
+} // walberla
\ No newline at end of file
diff --git a/src/mesa_pd/mpi/notifications/ParticleUpdateNotification.h b/src/mesa_pd/mpi/notifications/ParticleUpdateNotification.h
new file mode 100644
index 000000000..5fdd625c1
--- /dev/null
+++ b/src/mesa_pd/mpi/notifications/ParticleUpdateNotification.h
@@ -0,0 +1,109 @@
+//======================================================================================================================
+//
+// This file is part of waLBerla. waLBerla is free software: you can
+// redistribute it and/or modify it under the terms of the GNU General Public
+// License as published by the Free Software Foundation, either version 3 of
+// the License, or (at your option) any later version.
+//
+// waLBerla is distributed in the hope that it will be useful, but WITHOUT
+// ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
+// FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License
+// for more details.
+//
+// You should have received a copy of the GNU General Public License along
+// with waLBerla (see COPYING.txt). If not, see <http://www.gnu.org/licenses/>.
+//
+//! \file ParticleUpdateNotification.h
+//! \author Sebastian Eibl <sebastian.eibl@fau.de>
+//
+//======================================================================================================================
+
+//======================================================================================================================
+//
+// THIS FILE IS GENERATED - PLEASE CHANGE THE TEMPLATE !!!
+//
+//======================================================================================================================
+
+#pragma once
+
+#include <mesa_pd/data/DataTypes.h>
+#include <mesa_pd/data/ParticleStorage.h>
+#include <mesa_pd/mpi/notifications/NotificationType.h>
+
+#include <core/mpi/Datatype.h>
+#include <core/mpi/RecvBuffer.h>
+#include <core/mpi/SendBuffer.h>
+
+namespace walberla {
+namespace mesa_pd {
+
+/**
+ * Updates a ghost particle.
+ *
+ * Sends all properties marked as ALWAYS.
+ */
+class ParticleUpdateNotification {
+public:
+ struct Parameters {
+ walberla::id_t uid {UniqueID<data::Particle>::invalidID()};
+ walberla::mesa_pd::Vec3 position {real_t(0)};
+ walberla::mesa_pd::Rot3 rotation {};
+ walberla::mesa_pd::Vec3 angularVelocity {real_t(0)};
+ walberla::mesa_pd::Vec3 linearVelocity {real_t(0)};
+ std::map<walberla::id_t, walberla::mesa_pd::data::ContactHistory> oldContactHistory {};
+ walberla::real_t temperature {real_t(0)};
+ };
+
+ inline explicit ParticleUpdateNotification( const data::Particle& particle ) : particle_(particle) {}
+ const data::Particle& particle_;
+};
+
+template<>
+struct NotificationTrait<ParticleUpdateNotification>
+{
+ static const NotificationType id = PARTICLE_UPDATE_NOTIFICATION;
+};
+
+} // namespace mesa_pd
+} // namespace walberla
+
+//======================================================================================================================
+//
+// Send/Recv Buffer Serialization Specialization
+//
+//======================================================================================================================
+
+namespace walberla {
+namespace mpi {
+
+template< typename T, // Element type of SendBuffer
+ typename G> // Growth policy of SendBuffer
+mpi::GenericSendBuffer<T,G>& operator<<( mpi::GenericSendBuffer<T,G> & buf, const mesa_pd::ParticleUpdateNotification& obj )
+{
+ buf.addDebugMarker( "un" );
+ buf << obj.particle_.getUid();
+ buf << obj.particle_.getPosition();
+ buf << obj.particle_.getRotation();
+ buf << obj.particle_.getAngularVelocity();
+ buf << obj.particle_.getLinearVelocity();
+ buf << obj.particle_.getOldContactHistory();
+ buf << obj.particle_.getTemperature();
+ return buf;
+}
+
+template< typename T> // Element type of RecvBuffer
+mpi::GenericRecvBuffer<T>& operator>>( mpi::GenericRecvBuffer<T> & buf, mesa_pd::ParticleUpdateNotification::Parameters& objparam )
+{
+ buf.readDebugMarker( "un" );
+ buf >> objparam.uid;
+ buf >> objparam.position;
+ buf >> objparam.rotation;
+ buf >> objparam.angularVelocity;
+ buf >> objparam.linearVelocity;
+ buf >> objparam.oldContactHistory;
+ buf >> objparam.temperature;
+ return buf;
+}
+
+} // mpi
+} // walberla
\ No newline at end of file
diff --git a/src/mesa_pd/vtk/OutputSelector.h b/src/mesa_pd/vtk/OutputSelector.h
new file mode 100644
index 000000000..85a543680
--- /dev/null
+++ b/src/mesa_pd/vtk/OutputSelector.h
@@ -0,0 +1,72 @@
+//======================================================================================================================
+//
+// This file is part of waLBerla. waLBerla is free software: you can
+// redistribute it and/or modify it under the terms of the GNU General Public
+// License as published by the Free Software Foundation, either version 3 of
+// the License, or (at your option) any later version.
+//
+// waLBerla is distributed in the hope that it will be useful, but WITHOUT
+// ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
+// FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License
+// for more details.
+//
+// You should have received a copy of the GNU General Public License along
+// with waLBerla (see COPYING.txt). If not, see <http://www.gnu.org/licenses/>.
+//
+//! \file OutputSelector.h
+//! \author Sebastian Eibl <sebastian.eibl@fau.de>
+//
+//======================================================================================================================
+
+#pragma once
+
+#include <mesa_pd/data/DataTypes.h>
+#include <mesa_pd/data/ParticleStorage.h>
+#include "WriteOutput.h"
+
+#include <vtk/Base64Writer.h>
+#include <vtk/VTKTrait.h>
+
+#include <ostream>
+#include <string>
+
+namespace walberla {
+namespace mesa_pd {
+namespace vtk {
+
+class IOutputSelector
+{
+public:
+ IOutputSelector( char const * const ts, const uint_t c) : type_string(ts), components(c) {}
+ virtual ~IOutputSelector() {}
+ virtual void push( std::ostream& os , const data::Particle&& p, const uint_t component ) = 0;
+ virtual void push( walberla::vtk::Base64Writer& b64, const data::Particle&& p, const uint_t component ) = 0;
+
+ const std::string type_string;
+ const uint_t components;
+};
+
+template <typename Selector>
+class OutputSelector : public IOutputSelector
+{
+public:
+ OutputSelector(Selector s) :
+ IOutputSelector(walberla::vtk::VTKTrait<typename Selector::return_type>::type_string,
+ walberla::vtk::VTKTrait<typename Selector::return_type>::components),
+ selector_(s) {}
+ inline void push( std::ostream& os , const data::Particle&& p, const uint_t component ) override
+ {
+ writeOutput( os, selector_(p), component );
+ }
+ inline void push( walberla::vtk::Base64Writer& b64, const data::Particle&& p, const uint_t component ) override
+ {
+ writeOutput( b64, selector_(p), component );
+ }
+private:
+ Selector selector_;
+};
+
+} // namespace vtk
+} // namespace pe
+} // namespace walberla
+
diff --git a/src/mesa_pd/vtk/ParticleVtkOutput.cpp b/src/mesa_pd/vtk/ParticleVtkOutput.cpp
new file mode 100644
index 000000000..0210b4e29
--- /dev/null
+++ b/src/mesa_pd/vtk/ParticleVtkOutput.cpp
@@ -0,0 +1,89 @@
+//======================================================================================================================
+//
+// This file is part of waLBerla. waLBerla is free software: you can
+// redistribute it and/or modify it under the terms of the GNU General Public
+// License as published by the Free Software Foundation, either version 3 of
+// the License, or (at your option) any later version.
+//
+// waLBerla is distributed in the hope that it will be useful, but WITHOUT
+// ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
+// FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License
+// for more details.
+//
+// You should have received a copy of the GNU General Public License along
+// with waLBerla (see COPYING.txt). If not, see <http://www.gnu.org/licenses/>.
+//
+//! \file ParticleVtkOutput.cpp
+//! \author Sebastian Eibl <sebastian.eibl@fau.de>
+//
+//======================================================================================================================
+
+#include "ParticleVtkOutput.h"
+
+namespace walberla {
+namespace mesa_pd {
+namespace vtk {
+
+std::vector< ParticleVtkOutput::Attributes > ParticleVtkOutput::getAttributes() const
+{
+ std::vector< Attributes > attributes;
+ for (const auto& s : selectors_)
+ {
+ attributes.emplace_back( s.second->type_string, s.first, s.second->components );
+ }
+ return attributes;
+}
+
+std::vector< math::Vector3< real_t > > ParticleVtkOutput::getPoints()
+{
+ std::vector< math::Vector3< real_t > > result;
+ result.reserve(ps_->size());
+
+ particleIndices_.clear();
+ particleIndices_.reserve(ps_->size());
+
+ for (auto pIt = ps_->begin(); pIt != ps_->end(); ++pIt)
+ {
+ if (particleSelector_(pIt))
+ {
+ particleIndices_.emplace_back(pIt.getIdx());
+ result.emplace_back(pIt->getPosition());
+ }
+ }
+
+ return result;
+}
+
+void ParticleVtkOutput::push( std::ostream& os, const uint_t data, const uint_t point, const uint_t component )
+{
+ WALBERLA_ASSERT_LESS( data, selectors_.size() );
+ WALBERLA_ASSERT_LESS( point, particleIndices_.size() );
+ WALBERLA_ASSERT_LESS( particleIndices_[point], ps_->size() );
+
+ selectors_[data].second->push(os, *(*ps_)[particleIndices_[point]], component);
+}
+
+void ParticleVtkOutput::push( walberla::vtk::Base64Writer& b64, const uint_t data, const uint_t point, const uint_t component )
+{
+ WALBERLA_ASSERT_LESS( data, selectors_.size() );
+ WALBERLA_ASSERT_LESS( point, particleIndices_.size() );
+ WALBERLA_ASSERT_LESS( particleIndices_[point], ps_->size() );
+
+ selectors_[data].second->push(b64, *(*ps_)[particleIndices_[point]], component);
+}
+
+void ParticleVtkOutput::addOutput(const std::string& name, std::shared_ptr<IOutputSelector> selector)
+{
+ if ( std::find_if(selectors_.begin(), selectors_.end(), [&name](const auto& item){return item.first==name;} ) !=
+ selectors_.end() )
+ {
+ WALBERLA_LOG_WARNING("Output " << name << " already registered!");
+ return;
+ }
+ selectors_.emplace_back(name, selector);
+}
+
+} // namespace vtk
+} // namespace pe
+} // namespace walberla
+
diff --git a/src/mesa_pd/vtk/ParticleVtkOutput.h b/src/mesa_pd/vtk/ParticleVtkOutput.h
new file mode 100644
index 000000000..651403cea
--- /dev/null
+++ b/src/mesa_pd/vtk/ParticleVtkOutput.h
@@ -0,0 +1,76 @@
+//======================================================================================================================
+//
+// This file is part of waLBerla. waLBerla is free software: you can
+// redistribute it and/or modify it under the terms of the GNU General Public
+// License as published by the Free Software Foundation, either version 3 of
+// the License, or (at your option) any later version.
+//
+// waLBerla is distributed in the hope that it will be useful, but WITHOUT
+// ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
+// FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License
+// for more details.
+//
+// You should have received a copy of the GNU General Public License along
+// with waLBerla (see COPYING.txt). If not, see <http://www.gnu.org/licenses/>.
+//
+//! \file ParticleVtkOutput.h
+//! \author Sebastian Eibl <sebastian.eibl@fau.de>
+//
+//======================================================================================================================
+
+#pragma once
+
+#include <mesa_pd/data/ParticleStorage.h>
+#include "OutputSelector.h"
+
+#include "core/Set.h"
+#include "core/uid/SUID.h"
+
+#include "vtk/Base64Writer.h"
+#include "vtk/PointDataSource.h"
+#include "vtk/UtilityFunctions.h"
+
+#include <memory>
+#include <string>
+#include <vector>
+
+namespace walberla {
+namespace mesa_pd {
+namespace vtk {
+
+class ParticleVtkOutput : public walberla::vtk::PointDataSource
+{
+public:
+ using ParticleSelectorFunc = std::function<bool (const data::ParticleStorage::iterator& pIt)>;
+
+ ParticleVtkOutput( const std::shared_ptr<data::ParticleStorage>& ps )
+ : ps_(ps) { }
+
+ std::vector< Attributes > getAttributes() const override;
+ void configure() override {}
+ std::vector< Vector3< real_t > > getPoints() override;
+ void push( std::ostream& os , const uint_t data, const uint_t point, const uint_t component ) override;
+ void push( walberla::vtk::Base64Writer& b64, const uint_t data, const uint_t point, const uint_t component ) override;
+
+ template <typename T>
+ void addOutput(const std::string& name) { addOutput(name, std::make_shared<OutputSelector<T>>(T())); }
+
+ void addOutput(const std::string& name, std::shared_ptr<IOutputSelector> selector);
+
+ ///sets a function which decides which particles should be written to file
+ void setParticleSelector( const ParticleSelectorFunc& func) {particleSelector_ = func;}
+
+ ///returns the number of particles written during the last write
+ size_t getParticlesWritten() const {return particleIndices_.size();}
+
+private:
+ const std::shared_ptr<data::ParticleStorage>& ps_;
+ std::vector<size_t> particleIndices_; ///< stores indices of particles which got selected by particleSelector_
+ std::vector<std::pair<std::string, std::shared_ptr<IOutputSelector>>> selectors_;
+ ParticleSelectorFunc particleSelector_ = [](const data::ParticleStorage::iterator& /*pIt*/){return true;};
+};
+
+} // namespace vtk
+} // namespace pe
+} // namespace walberla
+
diff --git a/src/mesa_pd/vtk/WriteOutput.h b/src/mesa_pd/vtk/WriteOutput.h
new file mode 100644
index 000000000..ab22c7513
--- /dev/null
+++ b/src/mesa_pd/vtk/WriteOutput.h
@@ -0,0 +1,73 @@
+//======================================================================================================================
+//
+// This file is part of waLBerla. waLBerla is free software: you can
+// redistribute it and/or modify it under the terms of the GNU General Public
+// License as published by the Free Software Foundation, either version 3 of
+// the License, or (at your option) any later version.
+//
+// waLBerla is distributed in the hope that it will be useful, but WITHOUT
+// ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
+// FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License
+// for more details.
+//
+// You should have received a copy of the GNU General Public License along
+// with waLBerla (see COPYING.txt). If not, see <http://www.gnu.org/licenses/>.
+//
+//! \file WriteOutput.h
+//! \author Sebastian Eibl <sebastian.eibl@fau.de>
+//
+//======================================================================================================================
+
+#pragma once
+
+#include <mesa_pd/data/DataTypes.h>
+
+#include <core/debug/CheckFunctions.h>
+#include <vtk/Base64Writer.h>
+#include <vtk/UtilityFunctions.h>
+
+#include <ostream>
+
+namespace walberla {
+namespace mesa_pd {
+namespace vtk {
+
+template <typename T>
+inline
+void writeOutput(std::ostream& os, const T& data, const uint_t component)
+{
+ static_assert (std::is_arithmetic<T>::value, "this function only supports arithmetic data types" );
+ WALBERLA_ASSERT_EQUAL(component, 0);
+ WALBERLA_UNUSED(component);
+ walberla::vtk::toStream(os, data);
+}
+
+template <>
+inline
+void writeOutput(std::ostream& os, const Vec3& data, const uint_t component)
+{
+ WALBERLA_ASSERT_LESS(component, 3);
+ walberla::vtk::toStream(os, data[component]);
+}
+
+template <typename T>
+inline
+void writeOutput(walberla::vtk::Base64Writer& b64, const T& data, const uint_t component)
+{
+ static_assert (std::is_arithmetic<T>::value, "this function only supports arithmetic data types" );
+ WALBERLA_ASSERT_EQUAL(component, 0);
+ WALBERLA_UNUSED(component);
+ b64 << data;
+}
+
+template <>
+inline
+void writeOutput(walberla::vtk::Base64Writer& b64, const Vec3& data, const uint_t component)
+{
+ WALBERLA_ASSERT_LESS(component, 3);
+ b64 << data[component];
+}
+
+} // namespace vtk
+} // namespace pe
+} // namespace walberla
diff --git a/src/pe/ccd/HashGrids.h b/src/pe/ccd/HashGrids.h
index f3998e26b..24ecec304 100644
--- a/src/pe/ccd/HashGrids.h
+++ b/src/pe/ccd/HashGrids.h
@@ -233,7 +233,7 @@ private:
size_t xyCellCount_; /*!< \brief Number of cells allocated in x-axis direction multiplied by
the number of cells allocated in y-axis direction. */
- size_t xyzCellCount_; //!< Total number of allocated cells.
+ public: size_t xyzCellCount_; //!< Total number of allocated cells.
size_t enlargementThreshold_; /*!< \brief The enlargement threshold - the moment the number
of assigned bodies exceeds this threshold, the
diff --git a/src/vtk/BlockCellDataWriter.h b/src/vtk/BlockCellDataWriter.h
index eeaa41eca..d0eabef2c 100644
--- a/src/vtk/BlockCellDataWriter.h
+++ b/src/vtk/BlockCellDataWriter.h
@@ -76,7 +76,7 @@ namespace internal {
* assigned a specific string in VTK. This string must be returned by the pure virtual member function "typeString()".
* This function should always be implemented by calling the utility function "vtk::typeToString()":
* \code
-* const std::string& typeString() const { return vtk::typeToString< [DataType] >(); }
+* std::string typeString() const { return vtk::typeToString< [DataType] >(); }
* \endcode
*
* Additionally, every class derived from BlockCellDataWriter can implement two further push functions that are used
@@ -143,11 +143,11 @@ public:
* Every data type is assigned a specific string in VTK. This string must be returned by this function, which should
* always be implemented by calling the utility function "vtk::typeToString()":
* \code
- * const std::string& typeString() const { return vtk::typeToString< [DataType] >(); }
+ * std::string typeString() const { return vtk::typeToString< [DataType] >(); }
* \endcode
*/
//*******************************************************************************************************************
- virtual const std::string & typeString() const = 0;
+ virtual std::string typeString() const = 0;
const std::string & identifier() const { return identifier_; };
@@ -255,7 +255,7 @@ public:
uint_t fSize() const { return F_SIZE; }
- const std::string & typeString() const { return vtk::typeToString< T >(); }
+ std::string typeString() const { return vtk::typeToString< T >(); }
protected:
virtual T evaluate( const cell_idx_t x, const cell_idx_t y, const cell_idx_t z, const cell_idx_t f ) = 0;
diff --git a/src/vtk/UtilityFunctions.h b/src/vtk/UtilityFunctions.h
index fe1a0bb18..05e62b835 100644
--- a/src/vtk/UtilityFunctions.h
+++ b/src/vtk/UtilityFunctions.h
@@ -21,6 +21,8 @@
#pragma once
+#include "VTKTrait.h"
+
#include "core/DataTypes.h"
#include <ostream>
@@ -40,50 +42,10 @@ template<> inline void toStream( std::ostream& os, const uint8_t val
template< typename T >
-inline const std::string& typeToString();
-
-template<> inline const std::string& typeToString< int8_t >() {
- static std::string type( "Int8" );
- return type;
-}
-template<> inline const std::string& typeToString< int16_t >() {
- static std::string type( "Int16" );
- return type;
-}
-template<> inline const std::string& typeToString< int32_t >() {
- static std::string type( "Int32" );
- return type;
-}
-template<> inline const std::string& typeToString< int64_t >() {
- static std::string type( "Int64" );
- return type;
-}
-template<> inline const std::string& typeToString< uint8_t >() {
- static std::string type( "UInt8" );
- return type;
-}
-template<> inline const std::string& typeToString< uint16_t >() {
- static std::string type( "UInt16" );
- return type;
+inline std::string typeToString()
+{
+ return VTKTrait<T>::type_string;
}
-template<> inline const std::string& typeToString< uint32_t >() {
- static std::string type( "UInt32" );
- return type;
-}
-template<> inline const std::string& typeToString< uint64_t >() {
- static std::string type( "UInt64" );
- return type;
-}
-template<> inline const std::string& typeToString< float >() {
- static std::string type( "Float32" );
- return type;
-}
-template<> inline const std::string& typeToString< double >() {
- static std::string type( "Float64" );
- return type;
-}
-
-
} // namespace vtk
} // namespace walberla
diff --git a/src/vtk/VTKTrait.h b/src/vtk/VTKTrait.h
new file mode 100644
index 000000000..3592dc87f
--- /dev/null
+++ b/src/vtk/VTKTrait.h
@@ -0,0 +1,121 @@
+//======================================================================================================================
+//
+// This file is part of waLBerla. waLBerla is free software: you can
+// redistribute it and/or modify it under the terms of the GNU General Public
+// License as published by the Free Software Foundation, either version 3 of
+// the License, or (at your option) any later version.
+//
+// waLBerla is distributed in the hope that it will be useful, but WITHOUT
+// ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
+// FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License
+// for more details.
+//
+// You should have received a copy of the GNU General Public License along
+// with waLBerla (see COPYING.txt). If not, see <http://www.gnu.org/licenses/>.
+//
+//! \file VTKTrait.h
+//! \author Sebastian Eibl <sebastian.eibl@fau.de>
+//
+//======================================================================================================================
+
+#pragma once
+
+#include <core/DataTypes.h>
+#include <core/math/Vector3.h>
+
+namespace walberla {
+namespace vtk {
+
+template <typename T>
+struct VTKTrait {};
+
+template <>
+struct VTKTrait<int8_t>
+{
+ using type = int8_t;
+ constexpr static char const * const type_string = "Int8";
+ constexpr static const uint_t components = 1;
+};
+
+template <>
+struct VTKTrait<int16_t>
+{
+ using type = int16_t;
+ constexpr static char const * const type_string = "Int16";
+ constexpr static const uint_t components = 1;
+};
+
+template <>
+struct VTKTrait<int32_t>
+{
+ using type = int32_t;
+ constexpr static char const * const type_string = "Int32";
+ constexpr static const uint_t components = 1;
+};
+
+template <>
+struct VTKTrait<int64_t>
+{
+ using type = int64_t;
+ constexpr static char const * const type_string = "Int64";
+ constexpr static const uint_t components = 1;
+};
+
+template <>
+struct VTKTrait<uint8_t>
+{
+ using type = uint8_t;
+ constexpr static char const * const type_string = "UInt8";
+ constexpr static const uint_t components = 1;
+};
+
+template <>
+struct VTKTrait<uint16_t>
+{
+ using type = uint16_t;
+ constexpr static char const * const type_string = "UInt16";
+ constexpr static const uint_t components = 1;
+};
+
+template <>
+struct VTKTrait<uint32_t>
+{
+ using type = uint32_t;
+ constexpr static char const * const type_string = "UInt32";
+ constexpr static const uint_t components = 1;
+};
+
+template <>
+struct VTKTrait<uint64_t>
+{
+ using type = uint64_t;
+ constexpr static char const * const type_string = "UInt64";
+ constexpr static const uint_t components = 1;
+};
+
+template <>
+struct VTKTrait<float>
+{
+ using type = float;
+ constexpr static char const * const type_string = "Float32";
+ constexpr static const uint_t components = 1;
+};
+
+template <>
+struct VTKTrait<double>
+{
+ using type = double;
+ constexpr static char const * const type_string = "Float64";
+ constexpr static const uint_t components = 1;
+};
+
+template <typename T>
+struct VTKTrait<math::Vector3<T>>
+{
+ using type = typename VTKTrait<T>::type;
+ constexpr static char const * const type_string = VTKTrait<T>::type_string;
+ constexpr static const uint_t components = 3;
+};
+
+} // namespace vtk
+} // namespace walberla
diff --git a/tests/CMakeLists.txt b/tests/CMakeLists.txt
index e259e3a7d..ef1f0177a 100644
--- a/tests/CMakeLists.txt
+++ b/tests/CMakeLists.txt
@@ -14,6 +14,7 @@ add_subdirectory( gather )
add_subdirectory( geometry )
add_subdirectory( gui )
add_subdirectory( lbm )
+add_subdirectory( mesa_pd )
add_subdirectory( mesh )
add_subdirectory( pde )
add_subdirectory( pe )
diff --git a/tests/mesa_pd/CMakeLists.txt b/tests/mesa_pd/CMakeLists.txt
new file mode 100644
index 000000000..57a73030a
--- /dev/null
+++ b/tests/mesa_pd/CMakeLists.txt
@@ -0,0 +1,124 @@
+###################################################################################################
+#
+# Tests for MESA_PD
+#
+###################################################################################################
+
+waLBerla_compile_test( NAME MESA_PD_COLLISIONDETECTION_AnalyticContactDetection FILES collision_detection/AnalyticContactDetection.cpp DEPENDS core )
+waLBerla_execute_test( NAME MESA_PD_COLLISIONDETECTION_AnalyticContactDetection )
+
+waLBerla_compile_test( NAME MESA_PD_COMMON_IntersectionRatio FILES common/IntersectionRatio.cpp DEPENDS core )
+waLBerla_execute_test( NAME MESA_PD_COMMON_IntersectionRatio )
+
+waLBerla_compile_test( NAME MESA_PD_ContactDetection FILES ContactDetection.cpp DEPENDS blockforest core pe)
+waLBerla_execute_test( NAME MESA_PD_ContactDetection PROCESSES 8 )
+
+waLBerla_compile_test( NAME MESA_PD_Data_Flags FILES data/Flags.cpp DEPENDS core )
+waLBerla_execute_test( NAME MESA_PD_Data_Flags )
+
+waLBerla_compile_test( NAME MESA_PD_Data_ParticleStorage FILES data/ParticleStorage.cpp DEPENDS core )
+waLBerla_execute_test( NAME MESA_PD_Data_ParticleStorage )
+
+waLBerla_compile_test( NAME MESA_PD_Domain_BlockForestDomain FILES domain/BlockForestDomain.cpp DEPENDS blockforest core )
+waLBerla_execute_test( NAME MESA_PD_Domain_BlockForestDomain )
+
+waLBerla_compile_test( NAME MESA_PD_Domain_BlockForestSync FILES domain/BlockForestSync.cpp DEPENDS blockforest core pe)
+waLBerla_execute_test( NAME MESA_PD_Domain_BlockForestSync2 COMMAND $<TARGET_FILE:MESA_PD_Domain_BlockForestSync> PROCESSES 2 )
+waLBerla_execute_test( NAME MESA_PD_Domain_BlockForestSync4 COMMAND $<TARGET_FILE:MESA_PD_Domain_BlockForestSync> PROCESSES 4 )
+waLBerla_execute_test( NAME MESA_PD_Domain_BlockForestSync8 COMMAND $<TARGET_FILE:MESA_PD_Domain_BlockForestSync> PROCESSES 8 )
+
+waLBerla_compile_test( NAME MESA_PD_Domain_BlockForestSyncPeriodic FILES domain/BlockForestSyncPeriodic.cpp DEPENDS blockforest core pe)
+waLBerla_execute_test( NAME MESA_PD_Domain_BlockForestSyncPeriodic PROCESSES 8 )
+
+waLBerla_compile_test( NAME MESA_PD_Domain_DistanceCalculation FILES domain/DistanceCalculation.cpp DEPENDS blockforest core )
+waLBerla_execute_test( NAME MESA_PD_Domain_DistanceCalculation )
+
+waLBerla_compile_test( NAME MESA_PD_Domain_DynamicRefinement FILES domain/DynamicRefinement.cpp DEPENDS blockforest core pe )
+waLBerla_execute_test( NAME MESA_PD_Domain_DynamicRefinement PROCESSES 8)
+
+waLBerla_compile_test( NAME MESA_PD_Domain_SerializeDeserialize FILES domain/SerializeDeserialize.cpp DEPENDS blockforest core pe)
+waLBerla_execute_test( NAME MESA_PD_Domain_SerializeDeserialize PROCESSES 8 )
+
+waLBerla_compile_test( NAME MESA_PD_Kernel_ClearNextNeighborSync FILES kernel/ClearNextNeighborSync.cpp DEPENDS core )
+waLBerla_execute_test( NAME MESA_PD_Kernel_ClearNextNeighborSync PROCESSES 2 )
+
+waLBerla_compile_test( NAME MESA_PD_Kernel_CoefficientOfRestitutionSD FILES kernel/CoefficientOfRestitutionSD.cpp DEPENDS core )
+waLBerla_execute_test( NAME MESA_PD_Kernel_CoefficientOfRestitutionSDEuler COMMAND $<TARGET_FILE:MESA_PD_Kernel_CoefficientOfRestitutionSD> )
+waLBerla_execute_test( NAME MESA_PD_Kernel_CoefficientOfRestitutionSDVelocityVerlet COMMAND $<TARGET_FILE:MESA_PD_Kernel_CoefficientOfRestitutionSD> --useVV )
+
+waLBerla_compile_test( NAME MESA_PD_Kernel_CoefficientOfRestitutionLSD FILES kernel/CoefficientOfRestitutionLSD.cpp DEPENDS core )
+waLBerla_execute_test( NAME MESA_PD_Kernel_CoefficientOfRestitutionLSDEuler COMMAND $<TARGET_FILE:MESA_PD_Kernel_CoefficientOfRestitutionLSD> )
+waLBerla_execute_test( NAME MESA_PD_Kernel_CoefficientOfRestitutionLSDVelocityVerlet COMMAND $<TARGET_FILE:MESA_PD_Kernel_CoefficientOfRestitutionLSD> --useVV )
+
+waLBerla_compile_test( NAME MESA_PD_Kernel_CoefficientOfRestitutionNLSD FILES kernel/CoefficientOfRestitutionNLSD.cpp DEPENDS core )
+waLBerla_execute_test( NAME MESA_PD_Kernel_CoefficientOfRestitutionNLSDEuler COMMAND $<TARGET_FILE:MESA_PD_Kernel_CoefficientOfRestitutionNLSD> )
+waLBerla_execute_test( NAME MESA_PD_Kernel_CoefficientOfRestitutionVelocityVerlet COMMAND $<TARGET_FILE:MESA_PD_Kernel_CoefficientOfRestitutionNLSD> --useVV )
+
+waLBerla_compile_test( NAME MESA_PD_Kernel_DoubleCast FILES kernel/DoubleCast.cpp DEPENDS core )
+waLBerla_execute_test( NAME MESA_PD_Kernel_DoubleCast )
+
+waLBerla_compile_test( NAME MESA_PD_Kernel_ExplicitEuler FILES kernel/ExplicitEuler.cpp DEPENDS core )
+waLBerla_execute_test( NAME MESA_PD_Kernel_ExplicitEuler )
+
+waLBerla_compile_test( NAME MESA_PD_Kernel_ExplicitEulerWithShape FILES kernel/ExplicitEulerWithShape.cpp DEPENDS core )
+waLBerla_execute_test( NAME MESA_PD_Kernel_ExplicitEulerWithShape )
+
+waLBerla_compile_test( NAME MESA_PD_Kernel_ForceLJ FILES kernel/ForceLJ.cpp DEPENDS core )
+waLBerla_execute_test( NAME MESA_PD_Kernel_ForceLJ )
+
+waLBerla_compile_test( NAME MESA_PD_Kernel_GenerateAnalyticContacts FILES kernel/GenerateAnalyticContacts.cpp DEPENDS core )
+waLBerla_execute_test( NAME MESA_PD_Kernel_GenerateAnalyticContacts PROCESSES 27 )
+
+waLBerla_compile_test( NAME MESA_PD_Kernel_GenerateLinkedCells FILES kernel/GenerateLinkedCells.cpp DEPENDS core )
+waLBerla_execute_test( NAME MESA_PD_Kernel_GenerateLinkedCells )
+
+waLBerla_compile_test( NAME MESA_PD_Kernel_HeatConduction FILES kernel/HeatConduction.cpp DEPENDS core )
+waLBerla_execute_test( NAME MESA_PD_Kernel_HeatConduction )
+
+waLBerla_compile_test( NAME MESA_PD_Kernel_IntegratorAccuracy FILES kernel/IntegratorAccuracy.cpp DEPENDS core )
+waLBerla_execute_test( NAME MESA_PD_Kernel_IntegratorAccuracyEuler COMMAND $<TARGET_FILE:MESA_PD_Kernel_IntegratorAccuracy> )
+waLBerla_execute_test( NAME MESA_PD_Kernel_IntegratorAccuracyVelocityVerlet COMMAND $<TARGET_FILE:MESA_PD_Kernel_IntegratorAccuracy> --useVV )
+
+aux_source_directory(${CMAKE_CURRENT_SOURCE_DIR}/kernel/interfaces MESA_PD_INTERFACE_CHECKS)
+waLBerla_compile_test( NAME MESA_PD_Kernel_Interfaces FILES kernel/Interfaces.cpp ${MESA_PD_INTERFACE_CHECKS} DEPENDS core )
+waLBerla_execute_test( NAME MESA_PD_Kernel_Interfaces )
+
+waLBerla_compile_test( NAME MESA_PD_Kernel_LinearSpringDashpot FILES kernel/LinearSpringDashpot.cpp DEPENDS core )
+waLBerla_execute_test( NAME MESA_PD_Kernel_LinearSpringDashpot )
+
+waLBerla_compile_test( NAME MESA_PD_Kernel_LinkedCellsVsBruteForce FILES kernel/LinkedCellsVsBruteForce.cpp DEPENDS core )
+waLBerla_execute_test( NAME MESA_PD_Kernel_LinkedCellsVsBruteForce PROCESSES 27 )
+
+waLBerla_compile_test( NAME MESA_PD_Kernel_SingleCast FILES kernel/SingleCast.cpp DEPENDS core )
+waLBerla_execute_test( NAME MESA_PD_Kernel_SingleCast )
+
+waLBerla_compile_test( NAME MESA_PD_Kernel_SpringDashpot FILES kernel/SpringDashpot.cpp DEPENDS core )
+waLBerla_execute_test( NAME MESA_PD_Kernel_SpringDashpot )
+
+waLBerla_compile_test( NAME MESA_PD_Kernel_SyncNextNeighbors FILES kernel/SyncNextNeighbors.cpp DEPENDS core )
+waLBerla_execute_test( NAME MESA_PD_Kernel_SyncNextNeighbors PROCESSES 27 )
+
+waLBerla_compile_test( NAME MESA_PD_Kernel_TemperatureIntegration FILES kernel/TemperatureIntegration.cpp DEPENDS core )
+waLBerla_execute_test( NAME MESA_PD_Kernel_TemperatureIntegration )
+
+waLBerla_compile_test( NAME MESA_PD_Kernel_VelocityVerlet FILES kernel/VelocityVerlet.cpp DEPENDS core )
+waLBerla_execute_test( NAME MESA_PD_Kernel_VelocityVerlet )
+
+waLBerla_compile_test( NAME MESA_PD_Kernel_VelocityVerletWithShape FILES kernel/VelocityVerletWithShape.cpp DEPENDS core )
+waLBerla_execute_test( NAME MESA_PD_Kernel_VelocityVerletWithShape )
+
+waLBerla_compile_test( NAME MESA_PD_MPI_BroadcastProperty FILES mpi/BroadcastProperty.cpp DEPENDS core )
+waLBerla_execute_test( NAME MESA_PD_MPI_BroadcastProperty PROCESSES 8 )
+
+waLBerla_compile_test( NAME MESA_PD_MPI_Notifications FILES mpi/Notifications.cpp DEPENDS core )
+waLBerla_execute_test( NAME MESA_PD_MPI_Notifications )
+
+waLBerla_compile_test( NAME MESA_PD_MPI_ReduceContactHistory FILES mpi/ReduceContactHistory.cpp DEPENDS core )
+waLBerla_execute_test( NAME MESA_PD_MPI_ReduceContactHistory PROCESSES 8 )
+
+waLBerla_compile_test( NAME MESA_PD_MPI_ReduceProperty FILES mpi/ReduceProperty.cpp DEPENDS core )
+waLBerla_execute_test( NAME MESA_PD_MPI_ReduceProperty PROCESSES 8 )
+
+waLBerla_compile_test( NAME MESA_PD_VTK_Outputs FILES vtk/VTKOutputs.cpp DEPENDS blockforest core vtk )
+waLBerla_execute_test( NAME MESA_PD_VTK_Outputs PROCESSES 8 )
+
diff --git a/tests/mesa_pd/ContactDetection.cpp b/tests/mesa_pd/ContactDetection.cpp
new file mode 100644
index 000000000..1a435e2dc
--- /dev/null
+++ b/tests/mesa_pd/ContactDetection.cpp
@@ -0,0 +1,226 @@
+//======================================================================================================================
+//
+// This file is part of waLBerla. waLBerla is free software: you can
+// redistribute it and/or modify it under the terms of the GNU General Public
+// License as published by the Free Software Foundation, either version 3 of
+// the License, or (at your option) any later version.
+//
+// waLBerla is distributed in the hope that it will be useful, but WITHOUT
+// ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
+// FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License
+// for more details.
+//
+// You should have received a copy of the GNU General Public License along
+// with waLBerla (see COPYING.txt). If not, see <http://www.gnu.org/licenses/>.
+//
+//! \file ContactDetection.cpp
+//! \author Sebastian Eibl <sebastian.eibl@fau.de>
+//
+//======================================================================================================================
+
+#include <mesa_pd/vtk/ParticleVtkOutput.h>
+
+#include <mesa_pd/collision_detection/AnalyticContactDetection.h>
+#include <mesa_pd/data/LinkedCells.h>
+#include <mesa_pd/data/ParticleAccessor.h>
+#include <mesa_pd/data/ParticleStorage.h>
+#include <mesa_pd/data/ShapeStorage.h>
+#include <mesa_pd/domain/BlockForestDomain.h>
+#include <mesa_pd/kernel/DoubleCast.h>
+#include <mesa_pd/kernel/InsertParticleIntoLinkedCells.h>
+#include <mesa_pd/kernel/ParticleSelector.h>
+#include <mesa_pd/mpi/ContactFilter.h>
+#include <mesa_pd/mpi/notifications/ForceTorqueNotification.h>
+#include <mesa_pd/mpi/SyncNextNeighbors.h>
+
+#include <blockforest/BlockForest.h>
+#include <blockforest/Initialization.h>
+#include <core/Abort.h>
+#include <core/Environment.h>
+#include <core/math/Random.h>
+#include <core/mpi/Reduce.h>
+#include <core/grid_generator/SCIterator.h>
+#include <core/logging/Logging.h>
+#include <core/waLBerlaBuildInfo.h>
+
+#include <functional>
+#include <memory>
+#include <string>
+
+namespace walberla {
+namespace mesa_pd {
+
+class ParticleAccessorWithShape : public data::ParticleAccessor
+{
+public:
+ ParticleAccessorWithShape(std::shared_ptr<data::ParticleStorage>& ps, std::shared_ptr<data::ShapeStorage>& ss)
+ : ParticleAccessor(ps)
+ , ss_(ss)
+ {}
+
+ const walberla::real_t& getInvMass(const size_t p_idx) const {return ss_->shapes[ps_->getShapeIDRef(p_idx)]->getInvMass();}
+ walberla::real_t& getInvMassRef(const size_t p_idx) {return ss_->shapes[ps_->getShapeIDRef(p_idx)]->getInvMass();}
+ void setInvMass(const size_t p_idx, const walberla::real_t& v) { ss_->shapes[ps_->getShapeIDRef(p_idx)]->getInvMass() = v;}
+
+ const auto& getInvInertiaBF(const size_t p_idx) const {return ss_->shapes[ps_->getShapeIDRef(p_idx)]->getInvInertiaBF();}
+ auto& getInvInertiaBFRef(const size_t p_idx) {return ss_->shapes[ps_->getShapeIDRef(p_idx)]->getInvInertiaBF();}
+ void setInvInertiaBF(const size_t p_idx, const Mat3& v) { ss_->shapes[ps_->getShapeIDRef(p_idx)]->getInvInertiaBF() = v;}
+
+ data::BaseShape* getShape(const size_t p_idx) const {return ss_->shapes[ps_->getShapeIDRef(p_idx)].get();}
+private:
+ std::shared_ptr<data::ShapeStorage> ss_;
+};
+
+int main( const int particlesPerAxis = 2, const real_t radius = real_t(0.9) )
+{
+ using namespace walberla::timing;
+
+ walberla::mpi::MPIManager::instance()->resetMPI();
+
+ logging::Logging::instance()->setStreamLogLevel(logging::Logging::INFO);
+ // logging::Logging::instance()->setFileLogLevel(logging::Logging::DETAIL);
+ // logging::Logging::instance()->includeLoggingToFile("CollisionDetection");
+
+ math::seedRandomGenerator( static_cast<unsigned int>(1337 * walberla::mpi::MPIManager::instance()->worldRank()) );
+
+ const real_t spacing(1.0);
+
+ WALBERLA_LOG_INFO_ON_ROOT("*** BLOCKFOREST ***");
+ const int centerParticles = particlesPerAxis * particlesPerAxis * particlesPerAxis;
+ const int faceParticles = particlesPerAxis * particlesPerAxis * 6;
+ const int edgeParticles = particlesPerAxis * 4 * 3;
+ const int cornerParticles = 8;
+
+ WALBERLA_LOG_DEVEL_VAR_ON_ROOT(particlesPerAxis);
+ WALBERLA_LOG_DEVEL_VAR_ON_ROOT(centerParticles);
+ WALBERLA_LOG_DEVEL_VAR_ON_ROOT(faceParticles);
+ WALBERLA_LOG_DEVEL_VAR_ON_ROOT(edgeParticles);
+ WALBERLA_LOG_DEVEL_VAR_ON_ROOT(cornerParticles);
+
+ // create forest
+ const real_t eps = real_c(0.01); //shift to make contact points unambigous
+ auto forest = blockforest::createBlockForest( math::AABB(real_t(0),
+ real_t(0),
+ real_t(0),
+ real_c(particlesPerAxis) * real_t(2),
+ real_c(particlesPerAxis) * real_t(2),
+ real_c(particlesPerAxis) * real_t(2)).getTranslated(Vec3(eps,eps,eps)),
+ Vector3<uint_t>(2,2,2),
+ Vector3<bool>(true, true, true) );
+ domain::BlockForestDomain domain(forest);
+
+ auto localDomain = forest->begin()->getAABB();
+ WALBERLA_CHECK_EQUAL(forest->size(), 1, "please run with 8 processes -> 1 process per block");
+
+ WALBERLA_LOG_INFO_ON_ROOT("*** SETUP - START ***");
+
+ //init data structures
+ auto ps = std::make_shared<data::ParticleStorage>(100);
+ auto ss = std::make_shared<data::ShapeStorage>();
+ ParticleAccessorWithShape accessor(ps, ss);
+ data::LinkedCells lc(localDomain.getExtended(spacing), spacing );
+
+ auto smallSphere = ss->create<data::Sphere>( radius );
+ ss->shapes[smallSphere]->updateMassAndInertia(real_t(2707));
+ for (auto& iBlk : *forest)
+ {
+ for (auto pt : grid_generator::SCGrid(iBlk.getAABB(), Vector3<real_t>(spacing, spacing, spacing) * real_c(0.5), spacing))
+ {
+ WALBERLA_CHECK(iBlk.getAABB().contains(pt));
+
+ auto p = ps->create();
+ p->setPosition( pt );
+ p->setInteractionRadius( radius );
+ p->setShapeID( smallSphere );
+ p->setOwner( walberla::mpi::MPIManager::instance()->rank() );
+ }
+ }
+ int64_t numParticles = int64_c(ps->size());
+ walberla::mpi::reduceInplace(numParticles, walberla::mpi::SUM);
+ WALBERLA_LOG_INFO_ON_ROOT("#particles created: " << numParticles);
+
+ WALBERLA_LOG_INFO_ON_ROOT("*** SETUP - END ***");
+
+ WALBERLA_LOG_INFO_ON_ROOT("*** SIMULATION - START ***");
+ // Init kernels
+ kernel::InsertParticleIntoLinkedCells ipilc;
+ mpi::SyncNextNeighbors SNN;
+
+ // initial sync
+ WALBERLA_CHECK_EQUAL(ps->size(), centerParticles);
+ SNN(*ps, domain);
+ WALBERLA_CHECK_EQUAL(ps->size(), centerParticles + faceParticles + edgeParticles + cornerParticles);
+
+ lc.clear();
+ ps->forEachParticle(true, kernel::SelectAll(), accessor, ipilc, accessor, lc);
+
+ WALBERLA_CHECK_EQUAL(lc.cells_.size(), centerParticles + faceParticles + edgeParticles + cornerParticles);
+ int cell0 = 0;
+ int cell1 = 0;
+ for (const auto& idx : lc.cells_)
+ {
+ int particleCounter = 0;
+ int p_idx = idx;
+ while (p_idx != -1)
+ {
+ ++particleCounter;
+ p_idx = ps->getNextParticle(uint_c(p_idx));
+ }
+ if (particleCounter==0)
+ {
+ ++cell0;
+ } else if (particleCounter==1)
+ {
+ ++cell1;
+ } else {
+ WALBERLA_CHECK(false);
+ }
+ }
+ WALBERLA_CHECK_EQUAL(cell0, 0);
+ WALBERLA_CHECK_EQUAL(cell1, centerParticles + faceParticles + edgeParticles + cornerParticles); //ghost particles only at face, no ghost particle at edges and corners
+
+ std::atomic<int64_t> contactsChecked (0);
+ std::atomic<int64_t> contactsDetected(0);
+ std::atomic<int64_t> contactsTreated (0);
+ lc.forEachParticlePairHalf(true,
+ kernel::SelectAll(),
+ accessor,
+ [&](const size_t idx1, const size_t idx2, auto& ac)
+ {
+ collision_detection::AnalyticContactDetection acd;
+ kernel::DoubleCast double_cast;
+ mpi::ContactFilter contact_filter;
+ ++contactsChecked;
+ if (double_cast(idx1, idx2, ac, acd, ac ))
+ {
+ ++contactsDetected;
+ if (contact_filter(acd.getIdx1(), acd.getIdx2(), ac, acd.getContactPoint(), domain))
+ {
+ ++contactsTreated;
+ }
+ }
+ },
+ accessor );
+
+ WALBERLA_LOG_DEVEL_ON_ROOT( "contacts checked/detected/treated: " << contactsChecked << " / " << contactsDetected << " / " << contactsTreated );
+
+ WALBERLA_CHECK_EQUAL(contactsChecked, (centerParticles*26 + faceParticles*17 + edgeParticles*11 + cornerParticles*7) / 2 );
+ WALBERLA_CHECK_EQUAL(contactsDetected, (centerParticles*26 + faceParticles*17 + edgeParticles*11 + cornerParticles*7) / 2 );
+ //TODO: ContactsTreated
+
+ return EXIT_SUCCESS;
+}
+
+} // namespace mesa_pd
+} // namespace walberla
+
+int main( int argc, char* argv[] )
+{
+ walberla::Environment env(argc, argv);
+ WALBERLA_UNUSED(env);
+ walberla::mesa_pd::main( 2 );
+ walberla::mesa_pd::main( 3 );
+ walberla::mesa_pd::main( 4 );
+ walberla::mesa_pd::main( 5 );
+ return EXIT_SUCCESS;
+}
diff --git a/tests/mesa_pd/IntegratorWithShapeEvaluation.ipynb b/tests/mesa_pd/IntegratorWithShapeEvaluation.ipynb
new file mode 100644
index 000000000..9427965a0
--- /dev/null
+++ b/tests/mesa_pd/IntegratorWithShapeEvaluation.ipynb
@@ -0,0 +1,4544 @@
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+ "import numpy as np\n",
+ "import matplotlib.pyplot as plt\n",
+ "import seaborn as sns\n",
+ "\n",
+ "%matplotlib inline\n",
+ "%config InlineBackend.figure_format = 'svg' \n",
+ "\n",
+ "#darkgrid, whitegrid, dark, white, and ticks\n",
+ "sns.set_style(\"darkgrid\")\n",
+ "#paper, notebook, talk, and poster\n",
+ "sns.set_context(\"notebook\")\n",
+ "#deep, muted, pastel, bright, dark, and colorblind\n",
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+ "sns.palplot(current_palette)\n",
+ "sns.set_palette(\"muted\")"
+ ]
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+ {
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+ "metadata": {},
+ "outputs": [],
+ "source": [
+ "data = np.loadtxt(\"VelocityVerletWithShape.txt\").transpose()\n",
+ "x = np.arange(len(data[0]))"
+ ]
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+ "plt.title(\"Linear Velocity\")\n",
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+ "source": [
+ "plt.title(\"Rotation\")\n",
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+ " <use x=\"61.279297\" xlink:href=\"#DejaVuSans-110\"/>\n",
+ " <use x=\"124.658203\" xlink:href=\"#DejaVuSans-97\"/>\n",
+ " <use x=\"185.9375\" xlink:href=\"#DejaVuSans-108\"/>\n",
+ " <use x=\"213.720703\" xlink:href=\"#DejaVuSans-121\"/>\n",
+ " <use x=\"272.900391\" xlink:href=\"#DejaVuSans-116\"/>\n",
+ " <use x=\"312.109375\" xlink:href=\"#DejaVuSans-105\"/>\n",
+ " <use x=\"339.892578\" xlink:href=\"#DejaVuSans-99\"/>\n",
+ " </g>\n",
+ " </g>\n",
+ " </g>\n",
+ " </g>\n",
+ " </g>\n",
+ " <defs>\n",
+ " <clipPath id=\"p51d8a71626\">\n",
+ " <rect height=\"217.44\" width=\"334.8\" x=\"34.193438\" y=\"22.318125\"/>\n",
+ " </clipPath>\n",
+ " </defs>\n",
+ "</svg>\n"
+ ],
+ "text/plain": [
+ "<Figure size 432x288 with 1 Axes>"
+ ]
+ },
+ "metadata": {},
+ "output_type": "display_data"
+ }
+ ],
+ "source": [
+ "plt.title(\"Angular Velocity\")\n",
+ "plt.plot(x, data[6], label=\"numeric\")\n",
+ "plt.plot(x, data[7], label=\"analytic\")\n",
+ "plt.legend()\n",
+ "plt.show()"
+ ]
+ },
+ {
+ "cell_type": "code",
+ "execution_count": null,
+ "metadata": {},
+ "outputs": [],
+ "source": []
+ }
+ ],
+ "metadata": {
+ "kernelspec": {
+ "display_name": "Python 3",
+ "language": "python",
+ "name": "python3"
+ },
+ "language_info": {
+ "codemirror_mode": {
+ "name": "ipython",
+ "version": 3
+ },
+ "file_extension": ".py",
+ "mimetype": "text/x-python",
+ "name": "python",
+ "nbconvert_exporter": "python",
+ "pygments_lexer": "ipython3",
+ "version": "3.7.2"
+ }
+ },
+ "nbformat": 4,
+ "nbformat_minor": 2
+}
diff --git a/tests/mesa_pd/collision_detection/AnalyticContactDetection.cpp b/tests/mesa_pd/collision_detection/AnalyticContactDetection.cpp
new file mode 100644
index 000000000..bca221069
--- /dev/null
+++ b/tests/mesa_pd/collision_detection/AnalyticContactDetection.cpp
@@ -0,0 +1,192 @@
+//======================================================================================================================
+//
+// This file is part of waLBerla. waLBerla is free software: you can
+// redistribute it and/or modify it under the terms of the GNU General Public
+// License as published by the Free Software Foundation, either version 3 of
+// the License, or (at your option) any later version.
+//
+// waLBerla is distributed in the hope that it will be useful, but WITHOUT
+// ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
+// FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License
+// for more details.
+//
+// You should have received a copy of the GNU General Public License along
+// with waLBerla (see COPYING.txt). If not, see <http://www.gnu.org/licenses/>.
+//
+//! \file AnalyticContactDetection.cpp
+//! \author Sebastian Eibl <sebastian.eibl@fau.de>
+//
+//======================================================================================================================
+
+#include <mesa_pd/collision_detection/AnalyticContactDetection.h>
+#include <mesa_pd/data/ParticleAccessor.h>
+#include <mesa_pd/data/ParticleStorage.h>
+#include <mesa_pd/data/ShapeStorage.h>
+#include <mesa_pd/kernel/DoubleCast.h>
+
+#include <core/Environment.h>
+#include <core/logging/Logging.h>
+
+#include <cmath>
+#include <iostream>
+#include <memory>
+
+namespace walberla {
+namespace mesa_pd {
+
+class ParticleAccessorWithShape : public data::ParticleAccessor
+{
+public:
+ ParticleAccessorWithShape(std::shared_ptr<data::ParticleStorage>& ps, std::shared_ptr<data::ShapeStorage>& ss)
+ : ParticleAccessor(ps)
+ , ss_(ss)
+ {}
+
+ const walberla::real_t& getInvMass(const size_t p_idx) const {return ss_->shapes[ps_->getShapeID(p_idx)]->getInvMass();}
+ walberla::real_t& getInvMassRef(const size_t p_idx) {return ss_->shapes[ps_->getShapeID(p_idx)]->getInvMass();}
+ void setInvMass(const size_t p_idx, const walberla::real_t& v) { ss_->shapes[ps_->getShapeID(p_idx)]->getInvMass() = v;}
+
+ const auto& getInvInertiaBF(const size_t p_idx) const {return ss_->shapes[ps_->getShapeID(p_idx)]->getInvInertiaBF();}
+ auto& getInvInertiaBFRef(const size_t p_idx) {return ss_->shapes[ps_->getShapeID(p_idx)]->getInvInertiaBF();}
+ void setInvInertiaBF(const size_t p_idx, const Mat3& v) { ss_->shapes[ps_->getShapeID(p_idx)]->getInvInertiaBF() = v;}
+
+ data::BaseShape* getShape(const size_t p_idx) const {return ss_->shapes[ps_->getShapeID(p_idx)].get();}
+private:
+ std::shared_ptr<data::ShapeStorage> ss_;
+};
+
+void checkRotation( const Vec3& from, const Vec3& to )
+{
+ WALBERLA_LOG_DEVEL_VAR(from);
+ WALBERLA_LOG_DEVEL_VAR(to);
+ real_t cos = dot(from, to) / from.length() / to.length();
+ real_t angle = std::acos(cos);
+ WALBERLA_LOG_DEVEL_VAR(angle);
+ Vec3 axis = cross(from, to);
+ Rot3 rot;
+ rot.rotate(axis, angle);
+ WALBERLA_LOG_DEVEL_VAR( rot );
+
+ auto res = rot.getMatrix() * from;
+
+ WALBERLA_LOG_DEVEL_VAR(res);
+
+ WALBERLA_CHECK_FLOAT_EQUAL( res, to );
+}
+
+void checkSphereSphereCollision( )
+{
+ //init data structures
+ auto ps = std::make_shared<data::ParticleStorage>(100);
+ auto ss = std::make_shared<data::ShapeStorage>();
+ ParticleAccessorWithShape ac(ps, ss);
+
+ //initialize particles
+ const real_t radius = real_t(0.5);
+ auto smallSphere = ss->create<data::Sphere>( radius );
+ ss->shapes[smallSphere]->updateMassAndInertia(real_t(2707));
+
+ data::Particle&& sp0 = *ps->create();
+ sp0.setPosition( Vec3(real_t(0), real_t(0), real_t(0)) );
+ sp0.setShapeID( smallSphere );
+
+ auto dir = Vec3(real_t(1), real_t(2), real_t(3)).getNormalized();
+ real_t shift = real_c(0.75);
+ data::Particle&& sp1 = *ps->create();
+ sp1.setPosition( dir * shift );
+ sp1.setShapeID( smallSphere );
+
+ collision_detection::AnalyticContactDetection acd;
+ kernel::DoubleCast double_cast;
+
+ bool isInContact = false;
+ isInContact = double_cast(0, 1, ac, acd, ac );
+
+ //check two spheres in contact
+ WALBERLA_CHECK( isInContact );
+ WALBERLA_CHECK_EQUAL( acd.getIdx1(), 0);
+ WALBERLA_CHECK_EQUAL( acd.getIdx2(), 1);
+ WALBERLA_CHECK_FLOAT_EQUAL( acd.getContactPoint(), dir * shift * real_t(0.5));
+ WALBERLA_CHECK_FLOAT_EQUAL( acd.getContactNormal(), -dir );
+ WALBERLA_CHECK_FLOAT_EQUAL( acd.getPenetrationDepth(), shift - real_t(1) );
+
+ //check order invariance
+ collision_detection::AnalyticContactDetection acd2;
+ WALBERLA_CHECK( double_cast(1, 0, ac, acd2, ac ) );
+ WALBERLA_CHECK_EQUAL( acd.getIdx1(), acd2.getIdx1());
+ WALBERLA_CHECK_EQUAL( acd.getIdx2(), acd2.getIdx2());
+ WALBERLA_CHECK_FLOAT_EQUAL( acd.getContactPoint(), acd2.getContactPoint() );
+ WALBERLA_CHECK_FLOAT_EQUAL( acd.getContactNormal(), acd2.getContactNormal() );
+ WALBERLA_CHECK_FLOAT_EQUAL( acd.getPenetrationDepth(), acd2.getPenetrationDepth() );
+
+ //no collision
+ sp1.setPosition( dir * real_t(1.1) );
+ WALBERLA_CHECK( !double_cast(1, 0, ac, acd, ac ) );
+}
+
+void checkSphereHalfSpaceCollision( )
+{
+ //init data structures
+ auto ps = std::make_shared<data::ParticleStorage>(100);
+ auto ss = std::make_shared<data::ShapeStorage>();
+ ParticleAccessorWithShape ac(ps, ss);
+
+ //initialize particles
+ const real_t radius = real_t(1.0);
+ auto smallSphere = ss->create<data::Sphere>( radius );
+ ss->shapes[smallSphere]->updateMassAndInertia(real_t(2707));
+
+ data::Particle&& sp0 = *ps->create();
+ sp0.setPosition( Vec3(real_t(0), real_t(0), real_t(0)) );
+ sp0.setShapeID( smallSphere );
+
+ auto dir = Vec3(real_t(1), real_t(2), real_t(3)).getNormalized();
+ real_t shift = real_c(0.75);
+ auto p1 = ps->create(true);
+ p1->setPosition( dir * shift );
+ p1->setShapeID( ss->create<data::HalfSpace>( -dir ) );
+
+ collision_detection::AnalyticContactDetection acd;
+ kernel::DoubleCast double_cast;
+
+ bool isInContact = false;
+ isInContact = double_cast(0, 1, ac, acd, ac );
+
+ //check sphere - half space contact
+ WALBERLA_CHECK( isInContact );
+ WALBERLA_CHECK_EQUAL( acd.getIdx1(), 0);
+ WALBERLA_CHECK_EQUAL( acd.getIdx2(), 1);
+ WALBERLA_CHECK_FLOAT_EQUAL( acd.getContactPoint(), dir * shift * real_t(1.0));
+ WALBERLA_CHECK_FLOAT_EQUAL( acd.getContactNormal(), -dir );
+ WALBERLA_CHECK_FLOAT_EQUAL( acd.getPenetrationDepth(), shift - real_t(1) );
+
+ auto pos = Vec3(shift, real_t(0), real_t(0));
+ p1->setPosition(pos);
+ p1->setShapeID( ss->create<data::HalfSpace>( -Vec3(real_t(1), real_t(0), real_t(0)) ) );
+ isInContact = double_cast(0, 1, ac, acd, ac );
+ WALBERLA_CHECK( isInContact );
+ WALBERLA_CHECK_EQUAL( acd.getIdx1(), 0);
+ WALBERLA_CHECK_EQUAL( acd.getIdx2(), 1);
+ WALBERLA_CHECK_FLOAT_EQUAL( acd.getContactPoint(), pos);
+ WALBERLA_CHECK_FLOAT_EQUAL( acd.getContactNormal(), -Vec3(real_t(1), real_t(0), real_t(0)) );
+ WALBERLA_CHECK_FLOAT_EQUAL( acd.getPenetrationDepth(), pos[0] - real_t(1) );
+}
+
+} //namespace mesa_pd
+} //namespace walberla
+
+int main( int argc, char ** argv )
+{
+ walberla::Environment env(argc, argv);
+ WALBERLA_UNUSED(env);
+ walberla::mpi::MPIManager::instance()->useWorldComm();
+
+ using namespace walberla;
+ using namespace walberla::mesa_pd;
+ walberla::mesa_pd::checkRotation( Vec3(real_t(1), real_t(0), real_t(0)),
+ Vec3(real_t(0), real_t(1), real_t(0)) );
+ walberla::mesa_pd::checkSphereSphereCollision();
+ walberla::mesa_pd::checkSphereHalfSpaceCollision();
+
+ return EXIT_SUCCESS;
+}
diff --git a/tests/mesa_pd/common/IntersectionRatio.cpp b/tests/mesa_pd/common/IntersectionRatio.cpp
new file mode 100644
index 000000000..0451362c5
--- /dev/null
+++ b/tests/mesa_pd/common/IntersectionRatio.cpp
@@ -0,0 +1,201 @@
+//======================================================================================================================
+//
+// This file is part of waLBerla. waLBerla is free software: you can
+// redistribute it and/or modify it under the terms of the GNU General Public
+// License as published by the Free Software Foundation, either version 3 of
+// the License, or (at your option) any later version.
+//
+// waLBerla is distributed in the hope that it will be useful, but WITHOUT
+// ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
+// FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License
+// for more details.
+//
+// You should have received a copy of the GNU General Public License along
+// with waLBerla (see COPYING.txt). If not, see <http://www.gnu.org/licenses/>.
+//
+//! \file IntersectionRatio.cpp
+//! \author Christoph Rettinger <christoph.rettinger@fau.de>
+//
+//======================================================================================================================
+
+#include "core/DataTypes.h"
+#include "core/Environment.h"
+#include "core/debug/TestSubsystem.h"
+#include "core/math/all.h"
+
+#include "mesa_pd/common/RayParticleIntersection.h"
+#include "mesa_pd/data/ParticleAccessor.h"
+#include "mesa_pd/data/ParticleStorage.h"
+#include "mesa_pd/data/ShapeStorage.h"
+#include "mesa_pd/data/DataTypes.h"
+#include "mesa_pd/kernel/SingleCast.h"
+
+namespace intersection_ratio_test
+{
+using namespace walberla;
+
+
+class ParticleAccessorWithShape : public mesa_pd::data::ParticleAccessor
+{
+public:
+ ParticleAccessorWithShape(std::shared_ptr<mesa_pd::data::ParticleStorage>& ps, std::shared_ptr<mesa_pd::data::ShapeStorage>& ss)
+ : ParticleAccessor(ps)
+ , ss_(ss)
+ {}
+
+ mesa_pd::data::BaseShape* getShape(const size_t p_idx) const {return ss_->shapes[ps_->getShapeID(p_idx)].get();}
+private:
+ std::shared_ptr<mesa_pd::data::ShapeStorage> ss_;
+};
+
+
+/*!\brief Tests the ray-particle intersection ratio functionality of the RPDUtility.h in the lbm_rpd_coupling module
+ *
+ * Currently the following shapes are tested:
+ * - sphere
+ * - halfspace ( default and rotated )
+ *
+ * Additionally, the default variant with the bisection line search is tested with the help of a sphere.
+ */
+
+//////////
+// MAIN //
+//////////
+int main( int argc, char **argv )
+{
+ debug::enterTestMode();
+
+ mpi::Environment env( argc, argv );
+
+ auto ps = std::make_shared<mesa_pd::data::ParticleStorage>(1);
+ auto shapeStorage = std::make_shared<mesa_pd::data::ShapeStorage>();
+ using ParticleAccessor = ParticleAccessorWithShape;
+ ParticleAccessor accessor(ps, shapeStorage);
+
+ const real_t epsilon( real_t(1e-4) );
+
+ mesa_pd::kernel::SingleCast singleCast;
+ mesa_pd::RayParticleIntersectionRatioFunctor intersectionRatioFctr;
+
+ ////////////
+ // SPHERE //
+ ////////////
+ {
+ real_t sphereRadius = real_t(1);
+ auto sphereShape = shapeStorage->create<mesa_pd::data::Sphere>( sphereRadius );
+
+ Vector3<real_t> position(real_t(1), real_t(0), real_t(0));
+
+ mesa_pd::data::Particle&& p = *ps->create();
+ p.setPosition(position);
+ p.setShapeID(sphereShape);
+ auto idx = p.getIdx();
+
+ Vector3<real_t> pos1(real_t(-0.5), real_t(0), real_t(0));
+ Vector3<real_t> dir1(real_t(1), real_t(0), real_t(0));
+ real_t delta1 = singleCast(idx, accessor, intersectionRatioFctr, accessor, pos1, dir1, epsilon );
+ WALBERLA_CHECK_FLOAT_EQUAL(delta1, real_t(0.5), "Intersection ratio 1 with sphere wrong!");
+
+ Vector3<real_t> pos2(real_t(1), real_t(1), real_t(1));
+ Vector3<real_t> dir2(real_t(0), -real_t(1), -real_t(1));
+ real_t delta2 = singleCast(idx, accessor, intersectionRatioFctr, accessor, pos2, dir2, epsilon );
+ WALBERLA_CHECK_FLOAT_EQUAL(delta2, (std::sqrt(2) - real_t(1)) / std::sqrt(2), "Intersection ratio 2 with sphere wrong!");
+ }
+
+ ///////////////
+ // HALFSPACE //
+ ///////////////
+ {
+ Vector3<real_t> position(real_t(1), real_t(0), real_t(0));
+ Vector3<real_t> normal(real_t(0), real_t(1), real_t(1));
+
+ auto planeShape = shapeStorage->create<mesa_pd::data::HalfSpace>( normal.getNormalized() );
+
+ mesa_pd::data::Particle&& p = *ps->create(true);
+ p.setPosition(position);
+ p.setShapeID(planeShape);
+ auto idx = p.getIdx();
+
+ Vector3<real_t> pos1(real_t(1), real_t(0.5), real_t(0.5));
+ Vector3<real_t> dir1(real_t(0), -real_t(1), -real_t(1));
+ real_t delta1 = singleCast(idx, accessor, intersectionRatioFctr, accessor, pos1, dir1, epsilon );
+ WALBERLA_CHECK_FLOAT_EQUAL(delta1, real_t(0.5), "Intersection ratio 1 with half space wrong!");
+
+ Vector3<real_t> dir2(real_t(0), real_t(0), -real_t(2));
+ real_t delta2 = singleCast(idx, accessor, intersectionRatioFctr, accessor, pos1, dir2, epsilon );
+ WALBERLA_CHECK_FLOAT_EQUAL(delta2, real_t(0.5), "Intersection ratio 2 with half space wrong!");
+
+ Vector3<real_t> dir3(real_t(0), -real_t(3), real_t(0));
+ real_t delta3 = singleCast(idx, accessor, intersectionRatioFctr, accessor, pos1, dir3, epsilon );
+ WALBERLA_CHECK_FLOAT_EQUAL(delta3, real_t(1)/real_t(3), "Intersection ratio 3 with half space wrong!");
+ }
+
+ /////////////////////////
+ // HALFSPACE (rotated) //
+ /////////////////////////
+ {
+ Vector3<real_t> position(real_t(1), real_t(0), real_t(0));
+ Vector3<real_t> normal(real_t(0), real_t(0), real_t(1));
+
+ auto planeShape = shapeStorage->create<mesa_pd::data::HalfSpace>( normal.getNormalized() );
+
+ // rotate to same position as half space before
+ Vector3<real_t> rotationAngles( -math::M_PI / real_t(4), real_t(0), real_t(0));
+ Quaternion<real_t> quat( rotationAngles );
+
+ mesa_pd::data::Particle&& p = *ps->create(true);
+ p.setPosition(position);
+ p.setShapeID(planeShape);
+ p.setRotation(quat);
+ auto idx = p.getIdx();
+
+ Vector3<real_t> pos1(real_t(1), real_t(0.5), real_t(0.5));
+ Vector3<real_t> dir1(real_t(0), -real_t(1), -real_t(1));
+ real_t delta1 = singleCast(idx, accessor, intersectionRatioFctr, accessor, pos1, dir1, epsilon );
+ WALBERLA_CHECK_FLOAT_EQUAL(delta1, real_t(0.5), "Intersection ratio 1 with rotated half space wrong!");
+
+ Vector3<real_t> dir2(real_t(0), real_t(0), -real_t(2));
+ real_t delta2 = singleCast(idx, accessor, intersectionRatioFctr, accessor, pos1, dir2, epsilon );
+ WALBERLA_CHECK_FLOAT_EQUAL(delta2, real_t(0.5), "Intersection ratio 2 with rotated half space wrong!");
+
+ Vector3<real_t> dir3(real_t(0), -real_t(3), real_t(0));
+ real_t delta3 = singleCast(idx, accessor, intersectionRatioFctr, accessor, pos1, dir3, epsilon );
+ WALBERLA_CHECK_FLOAT_EQUAL(delta3, real_t(1)/real_t(3), "Intersection ratio 3 with rotated half space wrong!");
+ }
+
+ ///////////////////////////
+ // Bisection Line Search //
+ ///////////////////////////
+ {
+ // note: here tested with a sphere and therefore called explicitly because otherwise the sphere specialization would be selected
+
+ real_t sphereRadius = real_t(1);
+ auto sphereShape = shapeStorage->create<mesa_pd::data::Sphere>( sphereRadius );
+
+ Vector3<real_t> position(real_t(1), real_t(0), real_t(0));
+
+ mesa_pd::data::Particle&& p = *ps->create();
+ p.setPosition(position);
+ p.setShapeID(sphereShape);
+ auto idx = p.getIdx();
+
+ Vector3<real_t> pos1(real_t(-0.5), real_t(0), real_t(0));
+ Vector3<real_t> dir1(real_t(1), real_t(0), real_t(0));
+ real_t delta1 = mesa_pd::intersectionRatioBisection(idx, accessor, pos1, dir1, epsilon);
+ WALBERLA_CHECK_FLOAT_EQUAL_EPSILON(delta1, real_t(0.5), epsilon, "Intersection ratio 1 with bisection line search for sphere wrong!");
+
+ Vector3<real_t> pos2(real_t(1), real_t(1), real_t(1));
+ Vector3<real_t> dir2(real_t(0), -real_t(1), -real_t(1));
+ real_t delta2 = mesa_pd::intersectionRatioBisection(idx, accessor, pos2, dir2, epsilon);
+ WALBERLA_CHECK_FLOAT_EQUAL_EPSILON(delta2, (std::sqrt(2) - real_t(1)) / std::sqrt(2), epsilon, "Intersection ratio 2 with bisection line search for sphere wrong!");
+ }
+
+ return 0;
+
+}
+
+} //namespace intersection_ratio_test
+
+int main( int argc, char **argv ){
+ intersection_ratio_test::main(argc, argv);
+}
diff --git a/tests/mesa_pd/data/Flags.cpp b/tests/mesa_pd/data/Flags.cpp
new file mode 100644
index 000000000..e54cdcd85
--- /dev/null
+++ b/tests/mesa_pd/data/Flags.cpp
@@ -0,0 +1,57 @@
+//======================================================================================================================
+//
+// This file is part of waLBerla. waLBerla is free software: you can
+// redistribute it and/or modify it under the terms of the GNU General Public
+// License as published by the Free Software Foundation, either version 3 of
+// the License, or (at your option) any later version.
+//
+// waLBerla is distributed in the hope that it will be useful, but WITHOUT
+// ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
+// FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License
+// for more details.
+//
+// You should have received a copy of the GNU General Public License along
+// with waLBerla (see COPYING.txt). If not, see <http://www.gnu.org/licenses/>.
+//
+//! \file Flags.cpp
+//! \author Sebastian Eibl <sebastian.eibl@fau.de>
+//
+//======================================================================================================================
+
+#include <mesa_pd/data/Flags.h>
+
+#include <core/Environment.h>
+#include <core/logging/Logging.h>
+
+#include <iostream>
+
+namespace walberla {
+
+using namespace walberla::mesa_pd;
+
+int main( int argc, char ** argv )
+{
+ Environment env(argc, argv);
+ WALBERLA_UNUSED(env);
+ mpi::MPIManager::instance()->useWorldComm();
+
+ using namespace walberla::mesa_pd::data::particle_flags;
+ FlagT flag;
+
+ WALBERLA_CHECK( !isSet(flag, INFINITE) );
+ set(flag, INFINITE);
+
+ WALBERLA_CHECK( isSet(flag, INFINITE) );
+ unset(flag, INFINITE);
+
+ WALBERLA_CHECK( !isSet(flag, INFINITE) );
+
+ return EXIT_SUCCESS;
+}
+
+} //namespace walberla
+
+int main( int argc, char ** argv )
+{
+ return walberla::main(argc, argv);
+}
diff --git a/tests/mesa_pd/data/ParticleStorage.cpp b/tests/mesa_pd/data/ParticleStorage.cpp
new file mode 100644
index 000000000..ce3579292
--- /dev/null
+++ b/tests/mesa_pd/data/ParticleStorage.cpp
@@ -0,0 +1,87 @@
+//======================================================================================================================
+//
+// This file is part of waLBerla. waLBerla is free software: you can
+// redistribute it and/or modify it under the terms of the GNU General Public
+// License as published by the Free Software Foundation, either version 3 of
+// the License, or (at your option) any later version.
+//
+// waLBerla is distributed in the hope that it will be useful, but WITHOUT
+// ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
+// FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License
+// for more details.
+//
+// You should have received a copy of the GNU General Public License along
+// with waLBerla (see COPYING.txt). If not, see <http://www.gnu.org/licenses/>.
+//
+//! \file ParticleStorage.cpp
+//! \author Sebastian Eibl <sebastian.eibl@fau.de>
+//
+//======================================================================================================================
+
+#include <mesa_pd/data/ParticleStorage.h>
+
+#include <core/Environment.h>
+#include <core/logging/Logging.h>
+
+#include <algorithm>
+#include <iostream>
+
+namespace walberla {
+
+using namespace walberla::mesa_pd;
+
+void basic_test()
+{
+ //init data structures
+ data::ParticleStorage ps(100);
+
+ ps.create();
+ ps.create();
+ ps.create();
+ ps.create();
+ ps.create();
+ ps.create();
+ ps.create();
+
+ WALBERLA_CHECK_EQUAL( ps.size(), 7);
+ for (size_t i = 0; i < ps.size(); ++i)
+ {
+ for (size_t j = 0; j < ps.size(); ++j)
+ {
+ if (i==j)
+ {
+ WALBERLA_CHECK_EQUAL(ps.getUid(i), ps.getUid(j));
+ } else
+ {
+ WALBERLA_CHECK_UNEQUAL(ps.getUid(i), ps.getUid(j));
+ }
+ }
+
+ auto it = ps.find(ps.getUid(i));
+ WALBERLA_CHECK_EQUAL( it->getUid(), ps.getUid(i));
+ }
+
+ auto it = data::ParticleStorage::iterator(&ps, 3);
+ auto uid = ps.getUid(3);
+ ps.erase(it);
+ WALBERLA_CHECK_EQUAL( ps.size(), 6);
+ WALBERLA_CHECK_EQUAL( ps.find(uid), ps.end());
+}
+
+int main( int argc, char ** argv )
+{
+ Environment env(argc, argv);
+ WALBERLA_UNUSED(env);
+ mpi::MPIManager::instance()->useWorldComm();
+
+ basic_test();
+
+ return EXIT_SUCCESS;
+}
+
+} //namespace walberla
+
+int main( int argc, char ** argv )
+{
+ return walberla::main(argc, argv);
+}
diff --git a/tests/mesa_pd/domain/BlockForestDomain.cpp b/tests/mesa_pd/domain/BlockForestDomain.cpp
new file mode 100644
index 000000000..33d5a4f72
--- /dev/null
+++ b/tests/mesa_pd/domain/BlockForestDomain.cpp
@@ -0,0 +1,112 @@
+//======================================================================================================================
+//
+// This file is part of waLBerla. waLBerla is free software: you can
+// redistribute it and/or modify it under the terms of the GNU General Public
+// License as published by the Free Software Foundation, either version 3 of
+// the License, or (at your option) any later version.
+//
+// waLBerla is distributed in the hope that it will be useful, but WITHOUT
+// ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
+// FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License
+// for more details.
+//
+// You should have received a copy of the GNU General Public License along
+// with waLBerla (see COPYING.txt). If not, see <http://www.gnu.org/licenses/>.
+//
+//! \file BlockForestDomain.cpp
+//! \author Sebastian Eibl <sebastian.eibl@fau.de>
+//
+//======================================================================================================================
+
+#include <mesa_pd/domain/BlockForestDomain.h>
+
+#include <blockforest/loadbalancing/StaticCurve.h>
+#include <blockforest/Initialization.h>
+#include <blockforest/SetupBlockForest.h>
+#include <core/Environment.h>
+#include <core/logging/Logging.h>
+
+#include <iostream>
+
+namespace walberla {
+
+using namespace walberla::mesa_pd;
+
+void main( int argc, char ** argv )
+{
+ Environment env(argc, argv);
+ WALBERLA_UNUSED(env);
+ mpi::MPIManager::instance()->useWorldComm();
+ auto rank = mpi::MPIManager::instance()->rank();
+
+ // logging::Logging::instance()->setStreamLogLevel(logging::Logging::DETAIL);
+ // logging::Logging::instance()->includeLoggingToFile("MESA_PD_Kernel_SyncNextNeighbor");
+ // logging::Logging::instance()->setFileLogLevel(logging::Logging::DETAIL);
+
+ //init domain partitioning
+ auto sforest = std::make_unique<blockforest::SetupBlockForest>( );
+ sforest->addWorkloadMemorySUIDAssignmentFunction( blockforest::uniformWorkloadAndMemoryAssignment );
+ sforest->init( math::AABB(0,0,0,10,10,10), 2, 1, 1 , true, true, true);
+
+ WALBERLA_LOG_INFO_ON_ROOT( "Balancing " << sforest->getNumberOfBlocks() << " blocks for " << 2 << " processes...");
+
+ sforest->balanceLoad( blockforest::StaticLevelwiseCurveBalance(true), 2, real_t(0), memory_t(0), false, true );
+
+ auto forest = std::make_shared< BlockForest >( uint_c( walberla::MPIManager::instance()->rank() ), *sforest, false );
+
+ domain::BlockForestDomain domain(forest);
+
+ auto neighbors = domain.getNeighborProcesses();
+ WALBERLA_CHECK_EQUAL(neighbors.size(), 1);
+ WALBERLA_CHECK_EQUAL(neighbors[0], rank == 0 ? 1 : 0);
+
+ WALBERLA_CHECK_EQUAL(domain.findContainingProcessRank(Vec3(2,2,2)), 0);
+ WALBERLA_CHECK_EQUAL(domain.findContainingProcessRank(Vec3(7,7,7)), 1);
+
+ WALBERLA_CHECK(domain.isContainedInProcessSubdomain(0, Vec3(2,2,2)));
+ WALBERLA_CHECK(domain.isContainedInProcessSubdomain(1, Vec3(7,7,7)));
+
+ WALBERLA_CHECK_EQUAL(domain.isContainedInProcessSubdomain(Vec3(2,2,2), real_t(1)), rank == 0 ? true : false);
+ WALBERLA_CHECK_EQUAL(domain.isContainedInProcessSubdomain(Vec3(7,7,7), real_t(1)), rank == 0 ? false : true);
+
+ WALBERLA_CHECK_EQUAL(domain.isContainedInProcessSubdomain(Vec3(real_t(4.5),2,2), real_t(1)), rank == 0 ? false : false);
+ WALBERLA_CHECK_EQUAL(domain.isContainedInProcessSubdomain(Vec3(real_t(5.5),7,7), real_t(1)), rank == 0 ? false : false);
+
+ if (rank != 0)
+ WALBERLA_CHECK_EQUAL(domain.intersectsWithProcessSubdomain(0, Vec3(real_t(2),2,2), real_t(1)), true);
+ if (rank != 1)
+ WALBERLA_CHECK_EQUAL(domain.intersectsWithProcessSubdomain(1, Vec3(real_t(2),2,2), real_t(1)), false);
+
+ if (rank != 0)
+ WALBERLA_CHECK_EQUAL(domain.intersectsWithProcessSubdomain(0, Vec3(real_t(7),2,2), real_t(1)), false);
+ if (rank != 1)
+ WALBERLA_CHECK_EQUAL(domain.intersectsWithProcessSubdomain(1, Vec3(real_t(7),2,2), real_t(1)), true);
+
+ if (rank != 0)
+ WALBERLA_CHECK_EQUAL(domain.intersectsWithProcessSubdomain(0, Vec3(real_t(5.5),2,2), real_t(1)), true);
+ if (rank != 1)
+ WALBERLA_CHECK_EQUAL(domain.intersectsWithProcessSubdomain(1, Vec3(real_t(5.5),2,2), real_t(1)), true);
+
+ if (rank != 0)
+ WALBERLA_CHECK_EQUAL(domain.intersectsWithProcessSubdomain(0, Vec3(real_t(4.5),2,2), real_t(1)), true);
+ if (rank != 1)
+ WALBERLA_CHECK_EQUAL(domain.intersectsWithProcessSubdomain(1, Vec3(real_t(4.5),2,2), real_t(1)), true);
+
+ if (rank != 0)
+ WALBERLA_CHECK_EQUAL(domain.intersectsWithProcessSubdomain(0, Vec3(real_t(9.5),2,2), real_t(1)), true);
+ if (rank != 1)
+ WALBERLA_CHECK_EQUAL(domain.intersectsWithProcessSubdomain(1, Vec3(real_t(9.5),2,2), real_t(1)), true);
+
+ if (rank != 0)
+ WALBERLA_CHECK_EQUAL(domain.intersectsWithProcessSubdomain(0, Vec3(real_t(0.5),2,2), real_t(1)), true);
+ if (rank != 1)
+ WALBERLA_CHECK_EQUAL(domain.intersectsWithProcessSubdomain(1, Vec3(real_t(0.5),2,2), real_t(1)), true);
+}
+
+}
+
+int main( int argc, char ** argv )
+{
+ walberla::main(argc, argv);
+ return EXIT_SUCCESS;
+}
diff --git a/tests/mesa_pd/domain/BlockForestSync.cpp b/tests/mesa_pd/domain/BlockForestSync.cpp
new file mode 100644
index 000000000..b0fe8cf5d
--- /dev/null
+++ b/tests/mesa_pd/domain/BlockForestSync.cpp
@@ -0,0 +1,118 @@
+//======================================================================================================================
+//
+// This file is part of waLBerla. waLBerla is free software: you can
+// redistribute it and/or modify it under the terms of the GNU General Public
+// License as published by the Free Software Foundation, either version 3 of
+// the License, or (at your option) any later version.
+//
+// waLBerla is distributed in the hope that it will be useful, but WITHOUT
+// ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
+// FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License
+// for more details.
+//
+// You should have received a copy of the GNU General Public License along
+// with waLBerla (see COPYING.txt). If not, see <http://www.gnu.org/licenses/>.
+//
+//! \file BlockForestSync.cpp
+//! \author Sebastian Eibl <sebastian.eibl@fau.de>
+//
+//======================================================================================================================
+
+#include <mesa_pd/data/ParticleStorage.h>
+#include <mesa_pd/domain/BlockForestDomain.h>
+#include <mesa_pd/mpi/SyncNextNeighbors.h>
+
+#include <blockforest/BlockForest.h>
+#include <blockforest/Initialization.h>
+#include <core/Environment.h>
+#include <core/grid_generator/SCIterator.h>
+#include <core/logging/Logging.h>
+#include <core/math/Random.h>
+#include <core/mpi/Reduce.h>
+
+#include <iostream>
+#include <memory>
+
+namespace walberla {
+namespace mesa_pd {
+
+void sync()
+{
+ //init domain partitioning
+ auto forest = blockforest::createBlockForest( AABB(0,0,0,2,2,2), // simulation domain
+ Vector3<uint_t>(2,2,2), // blocks in each direction
+ Vector3<bool>(false, false, false) // periodicity
+ );
+ domain::BlockForestDomain domain(forest);
+
+ //init data structures
+ data::ParticleStorage ps(100);
+
+ //initialize particles
+ real_t spacing = real_c(1);
+ for (auto& iBlk : *forest)
+ {
+ for (auto pt : grid_generator::SCGrid(iBlk.getAABB(), Vector3<real_t>(spacing, spacing, spacing) * real_c(0.5), spacing))
+ {
+ WALBERLA_CHECK(iBlk.getAABB().contains(pt));
+
+ auto p = ps.create();
+ p->getPositionRef() = pt;
+ p->getInteractionRadiusRef() = spacing * real_t(0.5);
+ p->getOwnerRef() = walberla::mpi::MPIManager::instance()->rank();
+ p->getTypeRef() = 0;
+ p->getLinearVelocityRef() = (forest->getDomain().center() - p->getPosition()).getNormalized() * real_t(0.1);
+ }
+ }
+
+ //init kernels
+ mpi::SyncNextNeighbors SNN;
+ SNN(ps, domain);
+
+ //WALBERLA_CHECK_EQUAL(ps.size(), 4);
+
+ for (auto i = 0; i < 100; ++i)
+ {
+ for (auto p : ps)
+ {
+ p.getPositionRef() += p.getLinearVelocity();
+ }
+ SNN(ps, domain);
+
+ for (auto p : ps)
+ {
+ using namespace data::particle_flags;
+ if (isSet(p->getFlags(), GHOST))
+ {
+ WALBERLA_CHECK_UNEQUAL(p.getOwner(), walberla::mpi::MPIManager::instance()->rank(), p);
+ } else
+ {
+ WALBERLA_CHECK_EQUAL(p.getOwner(), walberla::mpi::MPIManager::instance()->rank(), p);
+ }
+ }
+ }
+
+ WALBERLA_CHECK_EQUAL(ps.size(), 0);
+}
+
+} //namespace mesa_pd
+} //namespace walberla
+
+/**
+ * Particles on a regular grid with fly through the domain
+ *
+ * The domain is a 2x2x2 grid. Particles get initialized to cross the domain.
+ * Correct migration is checked.
+ * Also fewer processes than blocks is checked.
+ */
+int main( int argc, char ** argv )
+{
+ using namespace walberla;
+ Environment env(argc, argv);
+ WALBERLA_UNUSED(env);
+ walberla::mpi::MPIManager::instance()->useWorldComm();
+
+ walberla::mesa_pd::sync();
+
+ return EXIT_SUCCESS;
+}
diff --git a/tests/mesa_pd/domain/BlockForestSyncPeriodic.cpp b/tests/mesa_pd/domain/BlockForestSyncPeriodic.cpp
new file mode 100644
index 000000000..8523ec9fb
--- /dev/null
+++ b/tests/mesa_pd/domain/BlockForestSyncPeriodic.cpp
@@ -0,0 +1,116 @@
+//======================================================================================================================
+//
+// This file is part of waLBerla. waLBerla is free software: you can
+// redistribute it and/or modify it under the terms of the GNU General Public
+// License as published by the Free Software Foundation, either version 3 of
+// the License, or (at your option) any later version.
+//
+// waLBerla is distributed in the hope that it will be useful, but WITHOUT
+// ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
+// FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License
+// for more details.
+//
+// You should have received a copy of the GNU General Public License along
+// with waLBerla (see COPYING.txt). If not, see <http://www.gnu.org/licenses/>.
+//
+//! \file BlockForestSync.cpp
+//! \author Sebastian Eibl <sebastian.eibl@fau.de>
+//
+//======================================================================================================================
+
+#include <mesa_pd/data/ParticleStorage.h>
+#include <mesa_pd/domain/BlockForestDomain.h>
+#include <mesa_pd/mpi/SyncNextNeighbors.h>
+
+#include <blockforest/BlockForest.h>
+#include <blockforest/Initialization.h>
+#include <core/Environment.h>
+#include <core/grid_generator/SCIterator.h>
+#include <core/logging/Logging.h>
+#include <core/math/Random.h>
+#include <core/mpi/Reduce.h>
+
+#include <iostream>
+#include <memory>
+
+namespace walberla {
+namespace mesa_pd {
+
+void periodicSync()
+{
+ //init domain partitioning
+ auto forest = blockforest::createBlockForest( AABB(0,0,0,2,2,2), // simulation domain
+ Vector3<uint_t>(2,2,2), // blocks in each direction
+ Vector3<bool>(true, true, true) // periodicity
+ );
+ domain::BlockForestDomain domain(forest);
+
+ //init data structures
+ data::ParticleStorage ps(100);
+
+ //initialize particles
+ real_t spacing = real_c(1);
+ for (auto& iBlk : *forest)
+ {
+ for (auto pt : grid_generator::SCGrid(iBlk.getAABB(), Vector3<real_t>(spacing, spacing, spacing) * real_c(0.5), spacing))
+ {
+ WALBERLA_CHECK(iBlk.getAABB().contains(pt));
+
+ auto p = ps.create();
+ p->getPositionRef() = pt;
+ p->getInteractionRadiusRef() = spacing * real_t(0.5);
+ p->getOwnerRef() = walberla::mpi::MPIManager::instance()->rank();
+ p->getTypeRef() = 0;
+ p->getLinearVelocityRef() = (forest->getDomain().center() - p->getPosition()).getNormalized() * real_t(0.1);
+ }
+ }
+
+ //init kernels
+ mpi::SyncNextNeighbors SNN;
+ SNN(ps, domain);
+
+ for (auto i = 0; i < 100; ++i)
+ {
+ for (auto p : ps)
+ {
+ p.getPositionRef() += p.getLinearVelocity();
+ }
+ SNN(ps, domain);
+
+ for (auto p : ps)
+ {
+ using namespace data::particle_flags;
+ if (isSet(p->getFlags(), GHOST))
+ {
+ WALBERLA_CHECK_UNEQUAL(p.getOwner(), walberla::mpi::MPIManager::instance()->rank(), p);
+ } else
+ {
+ WALBERLA_CHECK_EQUAL(p.getOwner(), walberla::mpi::MPIManager::instance()->rank(), p);
+ }
+ }
+ }
+
+ WALBERLA_CHECK_UNEQUAL(ps.size(), 0);
+}
+
+} //namespace mesa_pd
+} //namespace walberla
+
+/**
+ * Particles on a regular grid with fly through the domain
+ *
+ * The domain is a 2x2x2 grid. Particles get initialized to cross the domain.
+ * Correct migration is checked.
+ * Also fewer processes than blocks is checked.
+ */
+int main( int argc, char ** argv )
+{
+ using namespace walberla;
+ Environment env(argc, argv);
+ WALBERLA_UNUSED(env);
+ walberla::mpi::MPIManager::instance()->useWorldComm();
+
+ walberla::mesa_pd::periodicSync();
+
+ return EXIT_SUCCESS;
+}
diff --git a/tests/mesa_pd/domain/DistanceCalculation.cpp b/tests/mesa_pd/domain/DistanceCalculation.cpp
new file mode 100644
index 000000000..ef4fffa00
--- /dev/null
+++ b/tests/mesa_pd/domain/DistanceCalculation.cpp
@@ -0,0 +1,81 @@
+//======================================================================================================================
+//
+// This file is part of waLBerla. waLBerla is free software: you can
+// redistribute it and/or modify it under the terms of the GNU General Public
+// License as published by the Free Software Foundation, either version 3 of
+// the License, or (at your option) any later version.
+//
+// waLBerla is distributed in the hope that it will be useful, but WITHOUT
+// ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
+// FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License
+// for more details.
+//
+// You should have received a copy of the GNU General Public License along
+// with waLBerla (see COPYING.txt). If not, see <http://www.gnu.org/licenses/>.
+//
+//! \file DistanceCalculation.cpp
+//! \author Sebastian Eibl <sebastian.eibl@fau.de>
+//
+//======================================================================================================================
+
+#include <mesa_pd/domain/BlockForestDomain.h>
+
+#include <core/Environment.h>
+#include <core/logging/Logging.h>
+
+#include <iostream>
+
+namespace walberla {
+
+using namespace walberla::mesa_pd;
+
+void main( int argc, char ** argv )
+{
+ Environment env(argc, argv);
+ WALBERLA_UNUSED(env);
+ mpi::MPIManager::instance()->useWorldComm();
+
+ using namespace walberla::mesa_pd;
+
+ WALBERLA_CHECK_FLOAT_EQUAL( sqDistanceLineToPoint(real_t(0.7), real_t(0.9), real_t(1.2)) + real_t(1),
+ real_t(0.04) + real_t(1) );
+ WALBERLA_CHECK_FLOAT_EQUAL( sqDistanceLineToPoint(real_t(1.0), real_t(0.9), real_t(1.2)) + real_t(1),
+ real_t(0) + real_t(1) );
+ WALBERLA_CHECK_FLOAT_EQUAL( sqDistanceLineToPoint(real_t(1.5), real_t(0.9), real_t(1.2)) + real_t(1),
+ real_t(0.09) + real_t(1) );
+
+ WALBERLA_CHECK_FLOAT_EQUAL( sqDistancePointToAABB( Vec3(1,1,1),
+ math::AABB(real_t(2),real_t(2),real_t(2),real_t(3),real_t(3),real_t(3)) ) + real_t(1),
+ real_t(3) + real_t(1) );
+
+ WALBERLA_CHECK_FLOAT_EQUAL( sqDistancePointToAABB( Vec3(real_t(0.5),real_t(0.5),real_t(0.5)),
+ math::AABB(real_t(2),real_t(2),real_t(2),real_t(3),real_t(3),real_t(3)) ) + real_t(1),
+ real_t(6.75) + real_t(1) );
+
+ WALBERLA_CHECK_FLOAT_EQUAL( sqDistancePointToAABBPeriodic( Vec3(real_t(0.5),real_t(0.5),real_t(0.5)),
+ math::AABB(real_t(2),real_t(2),real_t(2),real_t(3),real_t(3),real_t(3)),
+ math::AABB(real_t(1),real_t(1),real_t(1),real_t(3),real_t(3),real_t(3)),
+ std::array< bool, 3 >{{false, false, false}}) + real_t(1),
+ real_t(6.75) + real_t(1) );
+
+ WALBERLA_CHECK_FLOAT_EQUAL( sqDistancePointToAABBPeriodic( Vec3(real_t(0.5),real_t(0.5),real_t(0.5)),
+ math::AABB(real_t(2),real_t(2),real_t(2),real_t(3),real_t(3),real_t(3)),
+ math::AABB(real_t(1),real_t(1),real_t(1),real_t(3),real_t(3),real_t(3)),
+ std::array< bool, 3 >{{true, true, true}}) + real_t(1),
+ real_t(0) + real_t(1) );
+
+ WALBERLA_CHECK_FLOAT_EQUAL( sqDistancePointToAABBPeriodic( Vec3(real_t(1.1),real_t(1.1),real_t(1.1)),
+ math::AABB(real_t(2),real_t(2),real_t(2),real_t(3),real_t(3),real_t(3)),
+ math::AABB(real_t(1),real_t(1),real_t(1),real_t(3),real_t(3),real_t(3)),
+ std::array< bool, 3 >{{true, true, true}}) + real_t(1),
+ real_t(0.03) + real_t(1) );
+}
+
+}
+
+int main( int argc, char ** argv )
+{
+ walberla::main(argc, argv);
+
+ return EXIT_SUCCESS;
+}
diff --git a/tests/mesa_pd/domain/DynamicRefinement.cpp b/tests/mesa_pd/domain/DynamicRefinement.cpp
new file mode 100644
index 000000000..1696d2485
--- /dev/null
+++ b/tests/mesa_pd/domain/DynamicRefinement.cpp
@@ -0,0 +1,164 @@
+//======================================================================================================================
+//
+// This file is part of waLBerla. waLBerla is free software: you can
+// redistribute it and/or modify it under the terms of the GNU General Public
+// License as published by the Free Software Foundation, either version 3 of
+// the License, or (at your option) any later version.
+//
+// waLBerla is distributed in the hope that it will be useful, but WITHOUT
+// ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
+// FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License
+// for more details.
+//
+// You should have received a copy of the GNU General Public License along
+// with waLBerla (see COPYING.txt). If not, see <http://www.gnu.org/licenses/>.
+//
+//! \file DynamicRefinement.cpp
+//! \author Sebastian Eibl <sebastian.eibl@fau.de>
+//
+//======================================================================================================================
+
+#include <mesa_pd/domain/BlockForestDataHandling.h>
+#include <mesa_pd/domain/BlockForestDomain.h>
+#include <mesa_pd/domain/InfoCollection.h>
+#include <mesa_pd/data/ParticleAccessor.h>
+#include <mesa_pd/data/ParticleStorage.h>
+
+#include <blockforest/Initialization.h>
+#include <blockforest/loadbalancing/DynamicCurve.h>
+#include <core/debug/TestSubsystem.h>
+#include <core/logging/Logging.h>
+#include <pe/amr/InfoCollection.h>
+#include <pe/amr/level_determination/MinMaxLevelDetermination.h>
+#include <pe/amr/weight_assignment/WeightAssignmentFunctor.h>
+
+
+namespace walberla {
+
+using namespace walberla::mesa_pd;
+
+///switches between level 0 and 1 in for every call
+class ReGrid_Switcher
+{
+public:
+ void operator()( std::vector< std::pair< const Block *, uint_t > > & minTargetLevels,
+ std::vector< const Block * > &, const BlockForest & forest );
+};
+
+void ReGrid_Switcher::operator()( std::vector< std::pair< const Block *, uint_t > > & minTargetLevels,
+ std::vector< const Block * > &, const BlockForest & /*forest*/ )
+{
+ for( auto it = minTargetLevels.begin(); it != minTargetLevels.end(); ++it )
+ {
+ it->second = it->first->getLevel() == 0 ? 1 : 0;
+ WALBERLA_LOG_DETAIL("setting block to level: " << it->second);
+ }
+}
+
+void createSphere(data::ParticleStorage& ps, domain::IDomain& domain, const Vec3& pos)
+{
+ auto owned = domain.isContainedInProcessSubdomain( uint_c(mpi::MPIManager::instance()->rank()), pos );
+ if (owned)
+ {
+ data::Particle&& p = *ps.create();
+ p.getPositionRef() = pos;
+ p.getInteractionRadiusRef() = real_t(1);
+ p.getOwnerRef() = mpi::MPIManager::instance()->rank();
+ }
+}
+
+/// This tests starts with one block located on one process.
+/// It then generates 1 particle in every quadrant.
+/// Load balancing is setup such that it will subdivide the block into 8 subblocks.
+/// Correct transmission of all particles is checked
+/// Blocks are coarsened again and particles are checked.
+int main( bool simple )
+{
+ // logging::Logging::instance()->setStreamLogLevel(logging::Logging::DETAIL);
+
+ //init domain partitioning
+ auto forest = blockforest::createBlockForest( AABB(0,0,0,10,10,10), // simulation domain
+ Vector3<uint_t>(1,1,1), // blocks in each direction
+ Vector3<bool>(false, false, false) // periodicity
+ );
+
+ forest->recalculateBlockLevelsInRefresh( true );
+ forest->alwaysRebalanceInRefresh( false );
+ forest->reevaluateMinTargetLevelsAfterForcedRefinement( false );
+ forest->allowRefreshChangingDepth( true );
+
+ forest->allowMultipleRefreshCycles( false );
+ forest->checkForEarlyOutInRefresh( true );
+ forest->checkForLateOutInRefresh( true );
+
+ auto infoCollection = make_shared<pe::InfoCollection>();
+
+ if (simple)
+ {
+ // use ReGrid_Switcher
+ forest->setRefreshMinTargetLevelDeterminationFunction( ReGrid_Switcher() );
+ forest->setRefreshPhantomBlockMigrationPreparationFunction(
+ blockforest::DynamicCurveBalance< blockforest::NoPhantomData >( false, true, false ) );
+ } else
+ {
+ forest->setRefreshMinTargetLevelDeterminationFunction( pe::amr::MinMaxLevelDetermination(infoCollection, 2, 5) );
+
+ forest->setRefreshPhantomBlockDataAssignmentFunction( pe::amr::WeightAssignmentFunctor( infoCollection ) );
+ forest->setRefreshPhantomBlockDataPackFunction( pe::amr::WeightAssignmentFunctor::PhantomBlockWeightPackUnpackFunctor() );
+ forest->setRefreshPhantomBlockDataUnpackFunction( pe::amr::WeightAssignmentFunctor::PhantomBlockWeightPackUnpackFunctor() );
+
+ forest->setRefreshPhantomBlockMigrationPreparationFunction(
+ blockforest::DynamicCurveBalance< pe::amr::WeightAssignmentFunctor::PhantomBlockWeight >( false, true, false ) );
+ }
+
+ auto ps = std::make_shared<data::ParticleStorage> (100);
+ data::ParticleAccessor ac(ps);
+ forest->addBlockData(domain::createBlockForestDataHandling(ps), "Storage");
+
+ domain::BlockForestDomain domain(forest);
+ // creating particles
+ createSphere(*ps, domain, Vec3(real_t(2.5), real_t(2.5), real_t(2.5)));
+ createSphere(*ps, domain, Vec3(real_t(2.5), real_t(2.5), real_t(7.5)));
+ createSphere(*ps, domain, Vec3(real_t(2.5), real_t(7.5), real_t(2.5)));
+ createSphere(*ps, domain, Vec3(real_t(2.5), real_t(7.5), real_t(7.5)));
+ createSphere(*ps, domain, Vec3(real_t(7.5), real_t(2.5), real_t(2.5)));
+ createSphere(*ps, domain, Vec3(real_t(7.5), real_t(2.5), real_t(7.5)));
+ createSphere(*ps, domain, Vec3(real_t(7.5), real_t(7.5), real_t(2.5)));
+ createSphere(*ps, domain, Vec3(real_t(7.5), real_t(7.5), real_t(7.5)));
+
+ //***** TESTING *****
+ WALBERLA_CHECK_EQUAL( forest->size(), mpi::MPIManager::instance()->rank() == 0 ? 1 : 0 );
+ WALBERLA_CHECK_EQUAL( ps->size(), mpi::MPIManager::instance()->rank() == 0 ? 8 : 0 );
+
+ domain::createWithNeighborhood(ac, *forest, *infoCollection);
+ forest->refresh();
+ WALBERLA_CHECK_EQUAL( forest->size(), 1 );
+ WALBERLA_CHECK_EQUAL( ps->size(), 1 );
+ WALBERLA_CHECK_FLOAT_EQUAL(ps->getPosition(0), forest->begin()->getAABB().center());
+
+ if (!simple)
+ {
+ forest->setRefreshMinTargetLevelDeterminationFunction( pe::amr::MinMaxLevelDetermination(infoCollection, 2, 9) );
+ }
+ domain::createWithNeighborhood(ac, *forest, *infoCollection);
+ forest->refresh();
+ WALBERLA_CHECK_EQUAL( forest->size(), mpi::MPIManager::instance()->rank() == 0 ? 1 : 0 );
+ WALBERLA_CHECK_EQUAL( ps->size(), mpi::MPIManager::instance()->rank() == 0 ? 8 : 0 );
+
+ return EXIT_SUCCESS;
+}
+
+} // namespace walberla
+
+int main( int argc, char* argv[] )
+{
+ walberla::debug::enterTestMode();
+ walberla::MPIManager::instance()->initializeMPI( &argc, &argv );
+
+ WALBERLA_UNUSED(argc);
+ WALBERLA_UNUSED(argv);
+
+ walberla::main( true );
+ walberla::main( false );
+ return EXIT_SUCCESS;
+}
diff --git a/tests/mesa_pd/domain/SerializeDeserialize.cpp b/tests/mesa_pd/domain/SerializeDeserialize.cpp
new file mode 100644
index 000000000..11d543102
--- /dev/null
+++ b/tests/mesa_pd/domain/SerializeDeserialize.cpp
@@ -0,0 +1,169 @@
+//======================================================================================================================
+//
+// This file is part of waLBerla. waLBerla is free software: you can
+// redistribute it and/or modify it under the terms of the GNU General Public
+// License as published by the Free Software Foundation, either version 3 of
+// the License, or (at your option) any later version.
+//
+// waLBerla is distributed in the hope that it will be useful, but WITHOUT
+// ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
+// FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License
+// for more details.
+//
+// You should have received a copy of the GNU General Public License along
+// with waLBerla (see COPYING.txt). If not, see <http://www.gnu.org/licenses/>.
+//
+//! \file DynamicRefinement.cpp
+//! \author Sebastian Eibl <sebastian.eibl@fau.de>
+//
+//======================================================================================================================
+
+#include <mesa_pd/data/DataTypes.h>
+#include <mesa_pd/domain/BlockForestDataHandling.h>
+#include <mesa_pd/data/ParticleStorage.h>
+#include <mesa_pd/data/ShapeStorage.h>
+
+#include <blockforest/Initialization.h>
+#include <core/debug/TestSubsystem.h>
+#include <core/grid_generator/SCIterator.h>
+#include <core/mpi/Reduce.h>
+#include <core/logging/Logging.h>
+
+namespace walberla {
+
+using namespace walberla::mesa_pd;
+
+void createDump()
+{
+ const real_t spacing = real_c(1);
+ const real_t radius = real_c(0.5);
+
+ WALBERLA_LOG_INFO_ON_ROOT("*** MESA_PD ***");
+ auto ps = std::make_shared<data::ParticleStorage>(100);
+ auto ss = std::make_shared<data::ShapeStorage>();
+
+ auto smallSphere = ss->create<data::Sphere>( radius );
+ ss->shapes[smallSphere]->updateMassAndInertia(real_t(2707));
+
+ WALBERLA_LOG_INFO_ON_ROOT("*** BLOCKFOREST ***");
+ // create forest
+ auto forest = blockforest::createBlockForest( math::AABB(real_t(0),
+ real_t(0),
+ real_t(0),
+ real_t(6),
+ real_t(6),
+ real_t(6)),
+ Vector3<uint_t>(2,2,2),
+ Vector3<bool>(true, true, true) );
+ forest->saveToFile("SerializeDeserialize.sbf");
+
+ auto bfDataHandlingID = forest->addBlockData(domain::createBlockForestDataHandling(ps), "BFDataHandling");
+
+ WALBERLA_CHECK_EQUAL(forest->size(), 1, "please run with 8 processes -> 1 process per block");
+
+ WALBERLA_LOG_INFO_ON_ROOT("*** SETUP - START ***");
+ //add one global particle
+ {
+ auto p = ps->create();
+ p->setPosition( Vec3(real_t(1)) );
+ data::particle_flags::set( p->getFlagsRef(), data::particle_flags::GLOBAL);
+ p->setInteractionRadius( radius );
+ p->setShapeID( smallSphere );
+ }
+
+ for (auto& iBlk : *forest)
+ {
+ for (auto pt : grid_generator::SCGrid(iBlk.getAABB(), Vector3<real_t>(spacing, spacing, spacing) * real_c(0.5), spacing))
+ {
+ WALBERLA_CHECK(iBlk.getAABB().contains(pt));
+
+ auto p = ps->create();
+ p->setPosition( pt );
+ p->setInteractionRadius( radius );
+ p->setShapeID( smallSphere );
+ p->setOwner( mpi::MPIManager::instance()->rank() );
+ }
+ }
+ int64_t numParticles = int64_c(ps->size());
+ mpi::reduceInplace(numParticles, mpi::SUM);
+ WALBERLA_LOG_INFO_ON_ROOT("#particles created: " << numParticles);
+
+ WALBERLA_LOG_INFO_ON_ROOT("*** SETUP - END ***");
+
+ WALBERLA_CHECK_EQUAL( ps->size(), 28 );
+
+ WALBERLA_LOG_DEVEL_ON_ROOT("dumping simulation");
+ forest->saveBlockData("SerializeDeserialize.dump", bfDataHandlingID);
+
+ WALBERLA_CHECK_EQUAL( ps->size(), 28 );
+}
+
+void checkDump()
+{
+ const real_t spacing = real_c(1);
+ const real_t radius = real_c(0.5);
+
+ WALBERLA_LOG_INFO_ON_ROOT("*** MESA_PD ***");
+ auto ps = std::make_shared<data::ParticleStorage>(100);
+ auto ss = std::make_shared<data::ShapeStorage>();
+
+ auto smallSphere = ss->create<data::Sphere>( radius );
+ ss->shapes[smallSphere]->updateMassAndInertia(real_t(2707));
+
+ WALBERLA_LOG_INFO_ON_ROOT("*** BLOCKFOREST ***");
+ auto forest = make_shared< BlockForest >( uint_c( MPIManager::instance()->rank() ), "SerializeDeserialize.sbf", true, false );
+
+ //add one global particle
+ {
+ auto p = ps->create();
+ p->setPosition( Vec3(real_t(1)) );
+ data::particle_flags::set( p->getFlagsRef(), data::particle_flags::GLOBAL);
+ p->setInteractionRadius( radius );
+ p->setShapeID( smallSphere );
+ }
+
+ WALBERLA_CHECK_EQUAL(ps->size(), 1);
+ forest->loadBlockData("SerializeDeserialize.dump", domain::createBlockForestDataHandling(ps), "BFDataHandling");
+ WALBERLA_CHECK_EQUAL(ps->size(), 28);
+
+ WALBERLA_LOG_INFO_ON_ROOT("*** CHECKING ***");
+ auto pIt = ++ps->begin();
+ for (auto& iBlk : *forest)
+ {
+ for (auto pt : grid_generator::SCGrid(iBlk.getAABB(), Vector3<real_t>(spacing, spacing, spacing) * real_c(0.5), spacing))
+ {
+ WALBERLA_CHECK(iBlk.getAABB().contains(pt));
+ WALBERLA_CHECK_UNEQUAL(pIt, ps->end()); //still particles left
+ WALBERLA_CHECK_FLOAT_EQUAL(pIt->getPosition(), pt);
+ ++pIt;
+ }
+ }
+ WALBERLA_CHECK_EQUAL(pIt, ps->end()); //all particles have been checked
+}
+
+int main( int argc, char ** argv )
+{
+ walberla::debug::enterTestMode();
+
+ WALBERLA_MPI_SECTION()
+ {
+ walberla::MPIManager::instance()->initializeMPI( &argc, &argv );
+ }
+
+ WALBERLA_LOG_DEVEL_ON_ROOT("*** DUMPING ***");
+ createDump();
+ WALBERLA_MPI_SECTION()
+ {
+ WALBERLA_MPI_BARRIER();
+ }
+ WALBERLA_LOG_DEVEL_ON_ROOT("*** CHECKING ***");
+ checkDump();
+
+ return EXIT_SUCCESS;
+}
+} // namespace walberla
+
+int main( int argc, char* argv[] )
+{
+ return walberla::main( argc, argv );
+}
diff --git a/tests/mesa_pd/kernel/ClearNextNeighborSync.cpp b/tests/mesa_pd/kernel/ClearNextNeighborSync.cpp
new file mode 100644
index 000000000..19154dc7b
--- /dev/null
+++ b/tests/mesa_pd/kernel/ClearNextNeighborSync.cpp
@@ -0,0 +1,111 @@
+//======================================================================================================================
+//
+// This file is part of waLBerla. waLBerla is free software: you can
+// redistribute it and/or modify it under the terms of the GNU General Public
+// License as published by the Free Software Foundation, either version 3 of
+// the License, or (at your option) any later version.
+//
+// waLBerla is distributed in the hope that it will be useful, but WITHOUT
+// ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
+// FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License
+// for more details.
+//
+// You should have received a copy of the GNU General Public License along
+// with waLBerla (see COPYING.txt). If not, see <http://www.gnu.org/licenses/>.
+//
+//! \file ClearNextNeighborSync.cpp
+//! \author Sebastian Eibl <sebastian.eibl@fau.de>
+//
+//======================================================================================================================
+
+#include <mesa_pd/data/ParticleAccessor.h>
+#include <mesa_pd/data/ParticleStorage.h>
+#include <mesa_pd/domain/BlockForestDomain.h>
+#include <mesa_pd/mpi/ClearNextNeighborSync.h>
+#include <mesa_pd/mpi/SyncNextNeighbors.h>
+
+#include <blockforest/BlockForest.h>
+#include <blockforest/Initialization.h>
+#include <core/Environment.h>
+#include <core/logging/Logging.h>
+#include <core/mpi/Reduce.h>
+
+#include <iostream>
+#include <memory>
+
+namespace walberla {
+namespace mesa_pd {
+
+const real_t radius = real_t(1);
+
+void createSphere(data::ParticleStorage& ps, domain::IDomain& domain, const Vec3& pos)
+{
+ auto owned = domain.isContainedInProcessSubdomain( uint_c(walberla::mpi::MPIManager::instance()->rank()), pos );
+ if (owned)
+ {
+ data::Particle&& p = *ps.create();
+ p.getPositionRef() = pos;
+ p.getInteractionRadiusRef() = radius;
+ p.getRotationRef() = Rot3(Quat());
+ p.getLinearVelocityRef() = Vec3(1,2,3);
+ p.getAngularVelocityRef() = Vec3(4,5,6);
+ p.getOwnerRef() = walberla::mpi::MPIManager::instance()->rank();
+ }
+}
+
+int main( int argc, char ** argv )
+{
+ Environment env(argc, argv);
+ WALBERLA_UNUSED(env);
+ walberla::mpi::MPIManager::instance()->useWorldComm();
+
+ //init domain partitioning
+ auto forest = blockforest::createBlockForest( AABB(0,0,0,10,5,5), // simulation domain
+ Vector3<uint_t>(2,1,1), // blocks in each direction
+ Vector3<bool>(false, false, false) // periodicity
+ );
+ domain::BlockForestDomain domain(forest);
+ std::array< bool, 3 > periodic;
+ periodic[0] = forest->isPeriodic(0);
+ periodic[1] = forest->isPeriodic(1);
+ periodic[2] = forest->isPeriodic(2);
+
+ //init data structures
+ auto ps = std::make_shared<data::ParticleStorage> (100);
+ data::ParticleAccessor ac(ps);
+
+ //initialize particle
+ createSphere(*ps, domain, Vec3(real_t(4.5),3,3));
+ createSphere(*ps, domain, Vec3(real_t(5.5),3,3));
+
+ //init kernels
+ mpi::ClearNextNeighborSync CNNS;
+ mpi::SyncNextNeighbors SNN;
+
+ //init
+ WALBERLA_CHECK_EQUAL(ps->size(), 1);
+ WALBERLA_CHECK_EQUAL(ps->getGhostOwners(0).size(), 0);
+
+ //sync
+ SNN(*ps, domain);
+
+ WALBERLA_CHECK_EQUAL(ps->size(), 2);
+ WALBERLA_CHECK_EQUAL(ps->getGhostOwners(0).size(), 1);
+ WALBERLA_CHECK(data::particle_flags::isSet(ps->getFlags(1), data::particle_flags::GHOST));
+
+ //clear
+ CNNS(ac);
+
+ WALBERLA_CHECK_EQUAL(ps->size(), 1);
+ WALBERLA_CHECK_EQUAL(ps->getGhostOwners(0).size(), 0);
+
+ return EXIT_SUCCESS;
+}
+
+} //namespace mesa_pd
+} //namespace walberla
+
+int main( int argc, char ** argv )
+{
+ return walberla::mesa_pd::main(argc, argv);
+}
diff --git a/tests/mesa_pd/kernel/CoefficientOfRestitutionLSD.cpp b/tests/mesa_pd/kernel/CoefficientOfRestitutionLSD.cpp
new file mode 100644
index 000000000..7f9ff9028
--- /dev/null
+++ b/tests/mesa_pd/kernel/CoefficientOfRestitutionLSD.cpp
@@ -0,0 +1,197 @@
+//======================================================================================================================
+//
+// This file is part of waLBerla. waLBerla is free software: you can
+// redistribute it and/or modify it under the terms of the GNU General Public
+// License as published by the Free Software Foundation, either version 3 of
+// the License, or (at your option) any later version.
+//
+// waLBerla is distributed in the hope that it will be useful, but WITHOUT
+// ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
+// FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License
+// for more details.
+//
+// You should have received a copy of the GNU General Public License along
+// with waLBerla (see COPYING.txt). If not, see <http://www.gnu.org/licenses/>.
+//
+//! \file DEMIntegratorAccuracy.cpp
+//! \author Christoph Rettinger <christoph.rettinger@fau.de>
+//
+//======================================================================================================================
+
+#include "mesa_pd/collision_detection/AnalyticContactDetection.h"
+
+#include "mesa_pd/data/ParticleAccessor.h"
+#include "mesa_pd/data/ParticleStorage.h"
+#include "mesa_pd/data/ShapeStorage.h"
+
+#include "mesa_pd/kernel/DoubleCast.h"
+#include "mesa_pd/kernel/VelocityVerlet.h"
+#include "mesa_pd/kernel/ExplicitEulerWithShape.h"
+#include "mesa_pd/kernel/LinearSpringDashpot.h"
+
+#include "core/Environment.h"
+#include "core/logging/Logging.h"
+
+#include <string>
+
+namespace dem_integrator_accuracy {
+
+using namespace walberla;
+using namespace walberla::mesa_pd;
+
+
+class ParticleAccessorWithShape : public data::ParticleAccessor
+{
+public:
+ ParticleAccessorWithShape(std::shared_ptr<data::ParticleStorage>& ps, std::shared_ptr<data::ShapeStorage>& ss)
+ : ParticleAccessor(ps)
+ , ss_(ss)
+ {}
+
+ const walberla::real_t& getInvMass(const size_t p_idx) const {return ss_->shapes[ps_->getShapeID(p_idx)]->getInvMass();}
+ walberla::real_t& getInvMassRef(const size_t p_idx) {return ss_->shapes[ps_->getShapeID(p_idx)]->getInvMass();}
+ void setInvMass(const size_t p_idx, const walberla::real_t& v) { ss_->shapes[ps_->getShapeID(p_idx)]->getInvMass() = v;}
+
+ const auto& getInvInertiaBF(const size_t p_idx) const {return ss_->shapes[ps_->getShapeID(p_idx)]->getInvInertiaBF();}
+ auto& getInvInertiaBFRef(const size_t p_idx) {return ss_->shapes[ps_->getShapeID(p_idx)]->getInvInertiaBF();}
+ void setInvInertiaBF(const size_t p_idx, const Mat3& v) { ss_->shapes[ps_->getShapeID(p_idx)]->getInvInertiaBF() = v;}
+
+ data::BaseShape* getShape(const size_t p_idx) const {return ss_->shapes[ps_->getShapeID(p_idx)].get();}
+private:
+ std::shared_ptr<data::ShapeStorage> ss_;
+};
+
+
+/*
+ * Tests the integrator accuracy for a DEM simulation by comparing the given coefficient of restitution to the simulated one.
+ * For that, the velocity after a single sphere-wall collision is divided by the initial velocity before the simulation.
+ * The parameters of the DEM are chosen such as to (analytically) yield the desried coefficient of restitution.
+ *
+ * The simulation can be adapted via command line arguments.
+ *
+ * Currently compared integrators:
+ * - explicit euler (default)
+ * - velocity verlet (--useVV)
+ */
+int main( int argc, char** argv )
+{
+ mpi::Environment env(argc, argv);
+ WALBERLA_UNUSED(env);
+ mpi::MPIManager::instance()->useWorldComm();
+
+ // parameters
+ real_t radius = real_t(5);
+ real_t dt = real_t(0.1);
+ real_t restitutionCoeff = real_t(0.83);
+ real_t densitySphere = real_t(1.5);
+ real_t collisionTime = real_t(10);
+ bool useVelocityVerlet = false;
+ real_t uIn = real_t(0.1);
+
+ for( int i = 1; i < argc; ++i )
+ {
+ if( std::strcmp( argv[i], "--useVV" ) == 0 ) { useVelocityVerlet = true; continue; }
+ if( std::strcmp( argv[i], "--dt" ) == 0 ) { dt = real_c(std::atof( argv[++i] )); continue; }
+ if( std::strcmp( argv[i], "--Tc" ) == 0 ) { collisionTime = real_c(std::atof( argv[++i] )); continue; }
+ if( std::strcmp( argv[i], "--radius" ) == 0 ) { radius = real_c(std::atof( argv[++i] )); continue; }
+ if( std::strcmp( argv[i], "--e" ) == 0 ) { restitutionCoeff = real_c(std::atof( argv[++i] )); continue; }
+ if( std::strcmp( argv[i], "--density" ) == 0 ) { densitySphere = real_c(std::atof( argv[++i] )); continue; }
+ if( std::strcmp( argv[i], "--uIn" ) == 0 ) { uIn = real_c(std::atof( argv[++i] )); continue; }
+ WALBERLA_ABORT("Unrecognized command line argument found: " << argv[i]);
+ }
+
+ //init data structures
+ auto ps = walberla::make_shared<data::ParticleStorage>(2);
+ auto ss = walberla::make_shared<data::ShapeStorage>();
+ using ParticleAccessor_T = ParticleAccessorWithShape;
+ auto accessor = walberla::make_shared<ParticleAccessor_T >(ps, ss);
+
+ auto sphereShape = ss->create<data::Sphere>( radius );
+ ss->shapes[sphereShape]->updateMassAndInertia(densitySphere);
+
+ const real_t particleMass = real_t(1) / ss->shapes[sphereShape]->getInvMass();
+ const real_t Mij = particleMass; // Mij = M for sphere-wall collision
+ const real_t lnDryResCoeff = std::log(restitutionCoeff);
+ const real_t stiffnessN = math::M_PI * math::M_PI * Mij / ( collisionTime * collisionTime * ( real_t(1) - lnDryResCoeff * lnDryResCoeff / ( math::M_PI * math::M_PI + lnDryResCoeff* lnDryResCoeff )) );
+ const real_t dampingN = - real_t(2) * std::sqrt( Mij * stiffnessN ) * ( lnDryResCoeff / std::sqrt( math::M_PI * math::M_PI + ( lnDryResCoeff * lnDryResCoeff ) ) );
+
+ WALBERLA_LOG_INFO("dt = " << dt << ", Tc = " << collisionTime << ", coefficient of restitution = " << restitutionCoeff);
+ WALBERLA_LOG_INFO(" -> mass " << particleMass << ", collision duration = " << collisionTime / dt << ", stiffness = " << stiffnessN << ", damping = " << dampingN);
+
+ // create sphere
+ auto pos = Vec3(0,0,radius);
+ auto linVel = Vec3(0,0,-uIn);
+ data::Particle&& p = *ps->create();
+ p.setPosition(pos);
+ p.setLinearVelocity(linVel);
+ p.setShapeID(sphereShape);
+ p.setType(0);
+ p.setForce(Vec3(0.));
+ p.setOldForce(Vec3(0.));
+
+ // create plane
+ data::Particle&& p0 = *ps->create(true);
+ p0.setPosition(Vec3(0,0,0));
+ p0.setShapeID(ss->create<data::HalfSpace>( Vector3<real_t>(0,0,1)) );
+ p0.setType(0);
+ data::particle_flags::set(p0.getFlagsRef(), data::particle_flags::INFINITE);
+ data::particle_flags::set(p0.getFlagsRef(), data::particle_flags::FIXED);
+
+ collision_detection::AnalyticContactDetection acd;
+ kernel::DoubleCast double_cast;
+
+ kernel::ExplicitEulerWithShape explEuler(dt);
+ kernel::VelocityVerletPreForceUpdate vvPreForce( dt );
+ kernel::VelocityVerletPostForceUpdate vvPostForce( dt );
+
+ kernel::LinearSpringDashpot dem(1);
+ dem.setStiffnessN(0,0,stiffnessN);
+ dem.setDampingN(0,0,dampingN);
+
+ uint_t steps = 0;
+ real_t maxPenetration = real_t(0);
+ do
+ {
+ if(useVelocityVerlet) vvPreForce(0,*accessor);
+
+ if (double_cast(0, 1, *accessor, acd, *accessor ))
+ {
+ real_t penetration = acd.getPenetrationDepth();
+ maxPenetration = std::max( maxPenetration, std::abs(penetration));
+
+ dem(acd.getIdx1(), acd.getIdx2(), *accessor, acd.getContactPoint(), acd.getContactNormal(), acd.getPenetrationDepth(), dt);
+ }
+ auto force = accessor->getForce(0);
+
+ if(useVelocityVerlet) vvPostForce(0,*accessor);
+ else explEuler(0, *accessor);
+
+ WALBERLA_LOG_INFO(steps << ": penetration = " << acd.getPenetrationDepth() << " || vel = " << accessor->getLinearVelocity(0)[2] << " || force = " << force[2]);
+
+ ++steps;
+ } while (double_cast(0, 1, *accessor, acd, *accessor ));
+
+ real_t simulatedCoefficientOfRestitution = -accessor->getLinearVelocity(0)[2] / linVel[2];
+ real_t relativeError = ( simulatedCoefficientOfRestitution - restitutionCoeff ) / restitutionCoeff;
+ WALBERLA_LOG_INFO("coefficient of restitution = " << simulatedCoefficientOfRestitution << " -> error = " << relativeError * 100. << "%");
+ WALBERLA_LOG_INFO("collision steps = " << steps);
+ WALBERLA_LOG_INFO("Max penetration = " << maxPenetration << " -> " << maxPenetration / radius * 100. << "% of radius");
+
+ if( useVelocityVerlet )
+ {
+ WALBERLA_CHECK_LESS(relativeError, real_t(0.01), "Error in simulated coefficient of restitution too large: " << simulatedCoefficientOfRestitution << " vs ref " << restitutionCoeff);
+ }
+ else
+ {
+ WALBERLA_CHECK_LESS(relativeError, real_t(0.03), "Error in simulated coefficient of restitution too large: " << simulatedCoefficientOfRestitution << " vs ref " << restitutionCoeff);
+ }
+
+
+ return EXIT_SUCCESS;
+}
+} // namespace dem_integrator_accuracy
+
+int main( int argc, char** argv )
+{
+ return dem_integrator_accuracy::main(argc, argv);
+}
diff --git a/tests/mesa_pd/kernel/CoefficientOfRestitutionNLSD.cpp b/tests/mesa_pd/kernel/CoefficientOfRestitutionNLSD.cpp
new file mode 100644
index 000000000..c6c996a9a
--- /dev/null
+++ b/tests/mesa_pd/kernel/CoefficientOfRestitutionNLSD.cpp
@@ -0,0 +1,201 @@
+//======================================================================================================================
+//
+// This file is part of waLBerla. waLBerla is free software: you can
+// redistribute it and/or modify it under the terms of the GNU General Public
+// License as published by the Free Software Foundation, either version 3 of
+// the License, or (at your option) any later version.
+//
+// waLBerla is distributed in the hope that it will be useful, but WITHOUT
+// ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
+// FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License
+// for more details.
+//
+// You should have received a copy of the GNU General Public License along
+// with waLBerla (see COPYING.txt). If not, see <http://www.gnu.org/licenses/>.
+//
+//! \file DEMIntegratorAccuracy.cpp
+//! \author Christoph Rettinger <christoph.rettinger@fau.de>
+//
+//======================================================================================================================
+
+#include "mesa_pd/collision_detection/AnalyticContactDetection.h"
+
+#include "mesa_pd/data/ParticleAccessor.h"
+#include "mesa_pd/data/ParticleStorage.h"
+#include "mesa_pd/data/ShapeStorage.h"
+
+#include "mesa_pd/kernel/DoubleCast.h"
+#include "mesa_pd/kernel/VelocityVerlet.h"
+#include "mesa_pd/kernel/ExplicitEulerWithShape.h"
+#include "mesa_pd/kernel/NonLinearSpringDashpot.h"
+#include "mesa_pd/mpi/ReduceContactHistory.h"
+
+#include "core/Environment.h"
+#include "core/logging/Logging.h"
+
+#include <string>
+
+namespace dem_integrator_accuracy {
+
+using namespace walberla;
+using namespace walberla::mesa_pd;
+
+
+class ParticleAccessorWithShape : public data::ParticleAccessor
+{
+public:
+ ParticleAccessorWithShape(std::shared_ptr<data::ParticleStorage>& ps, std::shared_ptr<data::ShapeStorage>& ss)
+ : ParticleAccessor(ps)
+ , ss_(ss)
+ {}
+
+ const walberla::real_t& getInvMass(const size_t p_idx) const {return ss_->shapes[ps_->getShapeID(p_idx)]->getInvMass();}
+ walberla::real_t& getInvMassRef(const size_t p_idx) {return ss_->shapes[ps_->getShapeID(p_idx)]->getInvMass();}
+ void setInvMass(const size_t p_idx, const walberla::real_t& v) { ss_->shapes[ps_->getShapeID(p_idx)]->getInvMass() = v;}
+
+ const auto& getInvInertiaBF(const size_t p_idx) const {return ss_->shapes[ps_->getShapeID(p_idx)]->getInvInertiaBF();}
+ auto& getInvInertiaBFRef(const size_t p_idx) {return ss_->shapes[ps_->getShapeID(p_idx)]->getInvInertiaBF();}
+ void setInvInertiaBF(const size_t p_idx, const Mat3& v) { ss_->shapes[ps_->getShapeID(p_idx)]->getInvInertiaBF() = v;}
+
+ data::BaseShape* getShape(const size_t p_idx) const {return ss_->shapes[ps_->getShapeID(p_idx)].get();}
+private:
+ std::shared_ptr<data::ShapeStorage> ss_;
+};
+
+
+/*
+ * Tests the integrator accuracy for a DEM simulation by comparing the given coefficient of restitution to the simulated one.
+ * For that, the velocity after a single sphere-wall collision is divided by the initial velocity before the simulation.
+ * The parameters of the DEM are chosen such as to (analytically) yield the desried coefficient of restitution.
+ *
+ * The simulation can be adapted via command line arguments.
+ *
+ * Currently compared integrators:
+ * - explicit euler (default)
+ * - velocity verlet (--useVV)
+ */
+int main( int argc, char** argv )
+{
+ walberla::mpi::Environment env(argc, argv);
+ WALBERLA_UNUSED(env);
+ walberla::mpi::MPIManager::instance()->useWorldComm();
+
+ // parameters
+ real_t radius = real_t(5);
+ real_t dt = real_t(0.1);
+ real_t restitutionCoeff = real_t(0.83);
+ real_t densitySphere = real_t(1.5);
+ real_t collisionTime = real_t(10);
+ bool useVelocityVerlet = false;
+ real_t uIn = real_t(0.1);
+
+ for( int i = 1; i < argc; ++i )
+ {
+ if( std::strcmp( argv[i], "--useVV" ) == 0 ) { useVelocityVerlet = true; continue; }
+ if( std::strcmp( argv[i], "--dt" ) == 0 ) { dt = real_c(std::atof( argv[++i] )); continue; }
+ if( std::strcmp( argv[i], "--Tc" ) == 0 ) { collisionTime = real_c(std::atof( argv[++i] )); continue; }
+ if( std::strcmp( argv[i], "--radius" ) == 0 ) { radius = real_c(std::atof( argv[++i] )); continue; }
+ if( std::strcmp( argv[i], "--e" ) == 0 ) { restitutionCoeff = real_c(std::atof( argv[++i] )); continue; }
+ if( std::strcmp( argv[i], "--density" ) == 0 ) { densitySphere = real_c(std::atof( argv[++i] )); continue; }
+ if( std::strcmp( argv[i], "--uIn" ) == 0 ) { uIn = real_c(std::atof( argv[++i] )); continue; }
+ WALBERLA_ABORT("Unrecognized command line argument found: " << argv[i]);
+ }
+
+ //init data structures
+ auto ps = walberla::make_shared<data::ParticleStorage>(2);
+ auto ss = walberla::make_shared<data::ShapeStorage>();
+ using ParticleAccessor_T = ParticleAccessorWithShape;
+ auto accessor = walberla::make_shared<ParticleAccessor_T >(ps, ss);
+
+ auto sphereShape = ss->create<data::Sphere>( radius );
+ ss->shapes[sphereShape]->updateMassAndInertia(densitySphere);
+
+ const real_t particleMass = real_t(1) / ss->shapes[sphereShape]->getInvMass();
+ const real_t Mij = particleMass; // Mij = M for sphere-wall collision
+ const real_t lnDryResCoeff = std::log(restitutionCoeff);
+ const real_t stiffnessN = math::M_PI * math::M_PI * Mij / ( collisionTime * collisionTime * ( real_t(1) - lnDryResCoeff * lnDryResCoeff / ( math::M_PI * math::M_PI + lnDryResCoeff* lnDryResCoeff )) );
+ const real_t dampingN = - real_t(2) * std::sqrt( Mij * stiffnessN ) * ( lnDryResCoeff / std::sqrt( math::M_PI * math::M_PI + ( lnDryResCoeff * lnDryResCoeff ) ) );
+
+ WALBERLA_LOG_INFO("dt = " << dt << ", Tc = " << collisionTime << ", coefficient of restitution = " << restitutionCoeff);
+ WALBERLA_LOG_INFO(" -> mass " << particleMass << ", collision duration = " << collisionTime / dt << ", stiffness = " << stiffnessN << ", damping = " << dampingN);
+
+ // create sphere
+ auto pos = Vec3(0,0,radius);
+ auto linVel = Vec3(0,0,-uIn);
+ data::Particle&& p = *ps->create();
+ p.setPosition(pos);
+ p.setLinearVelocity(linVel);
+ p.setShapeID(sphereShape);
+ p.setType(0);
+ p.setForce(Vec3(0.));
+ p.setOldForce(Vec3(0.));
+
+ // create plane
+ data::Particle&& p0 = *ps->create(true);
+ p0.setPosition(Vec3(0,0,0));
+ p0.setShapeID(ss->create<data::HalfSpace>( Vector3<real_t>(0,0,1)) );
+ p0.setType(0);
+ data::particle_flags::set(p0.getFlagsRef(), data::particle_flags::INFINITE);
+ data::particle_flags::set(p0.getFlagsRef(), data::particle_flags::FIXED);
+
+ collision_detection::AnalyticContactDetection acd;
+ kernel::DoubleCast double_cast;
+
+ kernel::ExplicitEulerWithShape explEuler(dt);
+ kernel::VelocityVerletPreForceUpdate vvPreForce( dt );
+ kernel::VelocityVerletPostForceUpdate vvPostForce( dt );
+
+ mesa_pd::mpi::ReduceContactHistory rch;
+ kernel::NonLinearSpringDashpot dem(1, collisionTime);
+ dem.setMeff(0,0,Mij);
+ dem.setCOR(0,0,restitutionCoeff);
+
+ uint_t steps = 0;
+ real_t maxPenetration = real_t(0);
+ do
+ {
+ if(useVelocityVerlet) vvPreForce(0,*accessor);
+
+ if (double_cast(0, 1, *accessor, acd, *accessor ))
+ {
+ real_t penetration = acd.getPenetrationDepth();
+ maxPenetration = std::max( maxPenetration, std::abs(penetration));
+
+ dem(acd.getIdx1(), acd.getIdx2(), *accessor, acd.getContactPoint(), acd.getContactNormal(), acd.getPenetrationDepth(), dt);
+ }
+ auto force = accessor->getForce(0);
+
+ if(useVelocityVerlet) vvPostForce(0,*accessor);
+ else explEuler(0, *accessor);
+
+ WALBERLA_LOG_INFO(steps << ": penetration = " << acd.getPenetrationDepth() << " || vel = " << accessor->getLinearVelocity(0)[2] << " || force = " << force[2]);
+
+ rch(*ps);
+
+ ++steps;
+ } while (double_cast(0, 1, *accessor, acd, *accessor ));
+
+ real_t simulatedCoefficientOfRestitution = -accessor->getLinearVelocity(0)[2] / linVel[2];
+ real_t relativeError = ( simulatedCoefficientOfRestitution - restitutionCoeff ) / restitutionCoeff;
+ WALBERLA_LOG_INFO("coefficient of restitution = " << simulatedCoefficientOfRestitution << " -> error = " << relativeError * 100. << "%");
+ WALBERLA_LOG_INFO("collision steps = " << steps);
+ WALBERLA_LOG_INFO("Max penetration = " << maxPenetration << " -> " << maxPenetration / radius * 100. << "% of radius");
+
+ if( useVelocityVerlet )
+ {
+ WALBERLA_CHECK_LESS(relativeError, real_t(0.01), "Error in simulated coefficient of restitution too large: " << simulatedCoefficientOfRestitution << " vs ref " << restitutionCoeff);
+ }
+ else
+ {
+ WALBERLA_CHECK_LESS(relativeError, real_t(0.03), "Error in simulated coefficient of restitution too large: " << simulatedCoefficientOfRestitution << " vs ref " << restitutionCoeff);
+ }
+
+
+ return EXIT_SUCCESS;
+}
+} // namespace dem_integrator_accuracy
+
+int main( int argc, char** argv )
+{
+ return dem_integrator_accuracy::main(argc, argv);
+}
diff --git a/tests/mesa_pd/kernel/CoefficientOfRestitutionSD.cpp b/tests/mesa_pd/kernel/CoefficientOfRestitutionSD.cpp
new file mode 100644
index 000000000..b72a7eaab
--- /dev/null
+++ b/tests/mesa_pd/kernel/CoefficientOfRestitutionSD.cpp
@@ -0,0 +1,197 @@
+//======================================================================================================================
+//
+// This file is part of waLBerla. waLBerla is free software: you can
+// redistribute it and/or modify it under the terms of the GNU General Public
+// License as published by the Free Software Foundation, either version 3 of
+// the License, or (at your option) any later version.
+//
+// waLBerla is distributed in the hope that it will be useful, but WITHOUT
+// ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
+// FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License
+// for more details.
+//
+// You should have received a copy of the GNU General Public License along
+// with waLBerla (see COPYING.txt). If not, see <http://www.gnu.org/licenses/>.
+//
+//! \file DEMIntegratorAccuracy.cpp
+//! \author Christoph Rettinger <christoph.rettinger@fau.de>
+//
+//======================================================================================================================
+
+#include "mesa_pd/collision_detection/AnalyticContactDetection.h"
+
+#include "mesa_pd/data/ParticleAccessor.h"
+#include "mesa_pd/data/ParticleStorage.h"
+#include "mesa_pd/data/ShapeStorage.h"
+
+#include "mesa_pd/kernel/DoubleCast.h"
+#include "mesa_pd/kernel/VelocityVerlet.h"
+#include "mesa_pd/kernel/ExplicitEulerWithShape.h"
+#include "mesa_pd/kernel/SpringDashpot.h"
+
+#include "core/Environment.h"
+#include "core/logging/Logging.h"
+
+#include <string>
+
+namespace dem_integrator_accuracy {
+
+using namespace walberla;
+using namespace walberla::mesa_pd;
+
+
+class ParticleAccessorWithShape : public data::ParticleAccessor
+{
+public:
+ ParticleAccessorWithShape(std::shared_ptr<data::ParticleStorage>& ps, std::shared_ptr<data::ShapeStorage>& ss)
+ : ParticleAccessor(ps)
+ , ss_(ss)
+ {}
+
+ const walberla::real_t& getInvMass(const size_t p_idx) const {return ss_->shapes[ps_->getShapeID(p_idx)]->getInvMass();}
+ walberla::real_t& getInvMassRef(const size_t p_idx) {return ss_->shapes[ps_->getShapeID(p_idx)]->getInvMass();}
+ void setInvMass(const size_t p_idx, const walberla::real_t& v) { ss_->shapes[ps_->getShapeID(p_idx)]->getInvMass() = v;}
+
+ const auto& getInvInertiaBF(const size_t p_idx) const {return ss_->shapes[ps_->getShapeID(p_idx)]->getInvInertiaBF();}
+ auto& getInvInertiaBFRef(const size_t p_idx) {return ss_->shapes[ps_->getShapeID(p_idx)]->getInvInertiaBF();}
+ void setInvInertiaBF(const size_t p_idx, const Mat3& v) { ss_->shapes[ps_->getShapeID(p_idx)]->getInvInertiaBF() = v;}
+
+ data::BaseShape* getShape(const size_t p_idx) const {return ss_->shapes[ps_->getShapeID(p_idx)].get();}
+private:
+ std::shared_ptr<data::ShapeStorage> ss_;
+};
+
+
+/*
+ * Tests the integrator accuracy for a DEM simulation by comparing the given coefficient of restitution to the simulated one.
+ * For that, the velocity after a single sphere-wall collision is divided by the initial velocity before the simulation.
+ * The parameters of the DEM are chosen such as to (analytically) yield the desried coefficient of restitution.
+ *
+ * The simulation can be adapted via command line arguments.
+ *
+ * Currently compared integrators:
+ * - explicit euler (default)
+ * - velocity verlet (--useVV)
+ */
+int main( int argc, char** argv )
+{
+ mpi::Environment env(argc, argv);
+ WALBERLA_UNUSED(env);
+ mpi::MPIManager::instance()->useWorldComm();
+
+ // parameters
+ real_t radius = real_t(5);
+ real_t dt = real_t(0.1);
+ real_t restitutionCoeff = real_t(0.83);
+ real_t densitySphere = real_t(1.5);
+ real_t collisionTime = real_t(10);
+ bool useVelocityVerlet = false;
+ real_t uIn = real_t(0.1);
+
+ for( int i = 1; i < argc; ++i )
+ {
+ if( std::strcmp( argv[i], "--useVV" ) == 0 ) { useVelocityVerlet = true; continue; }
+ if( std::strcmp( argv[i], "--dt" ) == 0 ) { dt = real_c(std::atof( argv[++i] )); continue; }
+ if( std::strcmp( argv[i], "--Tc" ) == 0 ) { collisionTime = real_c(std::atof( argv[++i] )); continue; }
+ if( std::strcmp( argv[i], "--radius" ) == 0 ) { radius = real_c(std::atof( argv[++i] )); continue; }
+ if( std::strcmp( argv[i], "--e" ) == 0 ) { restitutionCoeff = real_c(std::atof( argv[++i] )); continue; }
+ if( std::strcmp( argv[i], "--density" ) == 0 ) { densitySphere = real_c(std::atof( argv[++i] )); continue; }
+ if( std::strcmp( argv[i], "--uIn" ) == 0 ) { uIn = real_c(std::atof( argv[++i] )); continue; }
+ WALBERLA_ABORT("Unrecognized command line argument found: " << argv[i]);
+ }
+
+ //init data structures
+ auto ps = walberla::make_shared<data::ParticleStorage>(2);
+ auto ss = walberla::make_shared<data::ShapeStorage>();
+ using ParticleAccessor_T = ParticleAccessorWithShape;
+ auto accessor = walberla::make_shared<ParticleAccessor_T >(ps, ss);
+
+ auto sphereShape = ss->create<data::Sphere>( radius );
+ ss->shapes[sphereShape]->updateMassAndInertia(densitySphere);
+
+ const real_t particleMass = real_t(1) / ss->shapes[sphereShape]->getInvMass();
+ const real_t Mij = particleMass; // Mij = M for sphere-wall collision
+ const real_t lnDryResCoeff = std::log(restitutionCoeff);
+ const real_t stiffnessN = math::M_PI * math::M_PI * Mij / ( collisionTime * collisionTime * ( real_t(1) - lnDryResCoeff * lnDryResCoeff / ( math::M_PI * math::M_PI + lnDryResCoeff* lnDryResCoeff )) );
+ const real_t dampingN = - real_t(2) * std::sqrt( Mij * stiffnessN ) * ( lnDryResCoeff / std::sqrt( math::M_PI * math::M_PI + ( lnDryResCoeff * lnDryResCoeff ) ) );
+
+ WALBERLA_LOG_INFO("dt = " << dt << ", Tc = " << collisionTime << ", coefficient of restitution = " << restitutionCoeff);
+ WALBERLA_LOG_INFO(" -> mass " << particleMass << ", collision duration = " << collisionTime / dt << ", stiffness = " << stiffnessN << ", damping = " << dampingN);
+
+ // create sphere
+ auto pos = Vec3(0,0,radius);
+ auto linVel = Vec3(0,0,-uIn);
+ data::Particle&& p = *ps->create();
+ p.setPosition(pos);
+ p.setLinearVelocity(linVel);
+ p.setShapeID(sphereShape);
+ p.setType(0);
+ p.setForce(Vec3(0.));
+ p.setOldForce(Vec3(0.));
+
+ // create plane
+ data::Particle&& p0 = *ps->create(true);
+ p0.setPosition(Vec3(0,0,0));
+ p0.setShapeID(ss->create<data::HalfSpace>( Vector3<real_t>(0,0,1)) );
+ p0.setType(0);
+ data::particle_flags::set(p0.getFlagsRef(), data::particle_flags::INFINITE);
+ data::particle_flags::set(p0.getFlagsRef(), data::particle_flags::FIXED);
+
+ collision_detection::AnalyticContactDetection acd;
+ kernel::DoubleCast double_cast;
+
+ kernel::ExplicitEulerWithShape explEuler(dt);
+ kernel::VelocityVerletPreForceUpdate vvPreForce( dt );
+ kernel::VelocityVerletPostForceUpdate vvPostForce( dt );
+
+ kernel::SpringDashpot dem(1);
+ dem.setStiffness(0,0,stiffnessN);
+ dem.setDampingN(0,0,dampingN);
+
+ uint_t steps = 0;
+ real_t maxPenetration = real_t(0);
+ do
+ {
+ if(useVelocityVerlet) vvPreForce(0,*accessor);
+
+ if (double_cast(0, 1, *accessor, acd, *accessor ))
+ {
+ real_t penetration = acd.getPenetrationDepth();
+ maxPenetration = std::max( maxPenetration, std::abs(penetration));
+
+ dem(acd.getIdx1(), acd.getIdx2(), *accessor, acd.getContactPoint(), acd.getContactNormal(), acd.getPenetrationDepth());
+ }
+ auto force = accessor->getForce(0);
+
+ if(useVelocityVerlet) vvPostForce(0,*accessor);
+ else explEuler(0, *accessor);
+
+ WALBERLA_LOG_INFO(steps << ": penetration = " << acd.getPenetrationDepth() << " || vel = " << accessor->getLinearVelocity(0)[2] << " || force = " << force[2]);
+
+ ++steps;
+ } while (double_cast(0, 1, *accessor, acd, *accessor ));
+
+ real_t simulatedCoefficientOfRestitution = -accessor->getLinearVelocity(0)[2] / linVel[2];
+ real_t relativeError = ( simulatedCoefficientOfRestitution - restitutionCoeff ) / restitutionCoeff;
+ WALBERLA_LOG_INFO("coefficient of restitution = " << simulatedCoefficientOfRestitution << " -> error = " << relativeError * 100. << "%");
+ WALBERLA_LOG_INFO("collision steps = " << steps);
+ WALBERLA_LOG_INFO("Max penetration = " << maxPenetration << " -> " << maxPenetration / radius * 100. << "% of radius");
+
+ if( useVelocityVerlet )
+ {
+ WALBERLA_CHECK_LESS(relativeError, real_t(0.01), "Error in simulated coefficient of restitution too large: " << simulatedCoefficientOfRestitution << " vs ref " << restitutionCoeff);
+ }
+ else
+ {
+ WALBERLA_CHECK_LESS(relativeError, real_t(0.03), "Error in simulated coefficient of restitution too large: " << simulatedCoefficientOfRestitution << " vs ref " << restitutionCoeff);
+ }
+
+
+ return EXIT_SUCCESS;
+}
+} // namespace dem_integrator_accuracy
+
+int main( int argc, char** argv )
+{
+ return dem_integrator_accuracy::main(argc, argv);
+}
diff --git a/tests/mesa_pd/kernel/DoubleCast.cpp b/tests/mesa_pd/kernel/DoubleCast.cpp
new file mode 100644
index 000000000..ec429e4ed
--- /dev/null
+++ b/tests/mesa_pd/kernel/DoubleCast.cpp
@@ -0,0 +1,102 @@
+//======================================================================================================================
+//
+// This file is part of waLBerla. waLBerla is free software: you can
+// redistribute it and/or modify it under the terms of the GNU General Public
+// License as published by the Free Software Foundation, either version 3 of
+// the License, or (at your option) any later version.
+//
+// waLBerla is distributed in the hope that it will be useful, but WITHOUT
+// ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
+// FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License
+// for more details.
+//
+// You should have received a copy of the GNU General Public License along
+// with waLBerla (see COPYING.txt). If not, see <http://www.gnu.org/licenses/>.
+//
+//! \file DoubleCast.cpp
+//! \author Sebastian Eibl <sebastian.eibl@fau.de>
+//
+//======================================================================================================================
+
+#include <mesa_pd/data/DataTypes.h>
+
+#include <mesa_pd/kernel/DoubleCast.h>
+
+#include <core/Environment.h>
+#include <core/logging/Logging.h>
+
+#include <iostream>
+
+namespace walberla {
+
+using namespace walberla::mesa_pd;
+
+class SingleParticleAccessor : public data::IAccessor
+{
+public:
+ data::BaseShape* getShape(const size_t p_idx)
+ {
+ return p_idx == 0 ?
+ static_cast<data::BaseShape*>(&halfspace_) :
+ static_cast<data::BaseShape*>(&sphere_);
+ }
+
+ data::HalfSpace halfspace_ = data::HalfSpace(Vec3(1,0,0));
+ data::Sphere sphere_ = data::Sphere(real_t(0.5));
+};
+
+class ShapeTester
+{
+public:
+ void operator()(const size_t idx0, const size_t idx1, data::HalfSpace& /*hs*/, data::HalfSpace& /*hs*/)
+ {
+ WALBERLA_CHECK_EQUAL(idx0, 0);
+ WALBERLA_CHECK_EQUAL(idx1, 0);
+ }
+
+ void operator()(const size_t idx0, const size_t idx1, data::Sphere& /*hs*/, data::HalfSpace& /*hs*/)
+ {
+ WALBERLA_CHECK_EQUAL(idx0, 1);
+ WALBERLA_CHECK_EQUAL(idx1, 0);
+ }
+
+ void operator()(const size_t idx0, const size_t idx1, data::HalfSpace& /*hs*/, data::Sphere& /*hs*/)
+ {
+ WALBERLA_CHECK_EQUAL(idx0, 0);
+ WALBERLA_CHECK_EQUAL(idx1, 1);
+ }
+
+ void operator()(const size_t idx0, const size_t idx1, data::Sphere& /*hs*/, data::Sphere& /*hs*/)
+ {
+ WALBERLA_CHECK_EQUAL(idx0, 1);
+ WALBERLA_CHECK_EQUAL(idx1, 1);
+ }
+};
+
+int main( int argc, char ** argv )
+{
+ Environment env(argc, argv);
+ WALBERLA_UNUSED(env);
+ mpi::MPIManager::instance()->useWorldComm();
+
+ //init data structures
+ SingleParticleAccessor accessor;
+
+ //init kernels
+ kernel::DoubleCast doublecast;
+
+ ShapeTester tester;
+ doublecast(0, 0, accessor, tester);
+ doublecast(1, 0, accessor, tester);
+ doublecast(0, 1, accessor, tester);
+ doublecast(1, 1, accessor, tester);
+
+ return EXIT_SUCCESS;
+}
+
+} //namespace walberla
+
+int main( int argc, char ** argv )
+{
+ return walberla::main(argc, argv);
+}
diff --git a/tests/mesa_pd/kernel/ExplicitEuler.cpp b/tests/mesa_pd/kernel/ExplicitEuler.cpp
new file mode 100644
index 000000000..34ac15885
--- /dev/null
+++ b/tests/mesa_pd/kernel/ExplicitEuler.cpp
@@ -0,0 +1,116 @@
+//======================================================================================================================
+//
+// This file is part of waLBerla. waLBerla is free software: you can
+// redistribute it and/or modify it under the terms of the GNU General Public
+// License as published by the Free Software Foundation, either version 3 of
+// the License, or (at your option) any later version.
+//
+// waLBerla is distributed in the hope that it will be useful, but WITHOUT
+// ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
+// FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License
+// for more details.
+//
+// You should have received a copy of the GNU General Public License along
+// with waLBerla (see COPYING.txt). If not, see <http://www.gnu.org/licenses/>.
+//
+//! \file ExplicitEuler.cpp
+//! \author Sebastian Eibl <sebastian.eibl@fau.de>
+//
+//======================================================================================================================
+
+#include <mesa_pd/data/DataTypes.h>
+#include <mesa_pd/data/ParticleAccessor.h>
+
+#include <mesa_pd/kernel/ExplicitEuler.h>
+
+#include <core/Environment.h>
+#include <core/logging/Logging.h>
+
+#include <iostream>
+
+namespace walberla {
+
+using namespace walberla::mesa_pd;
+
+class SingleParticleAccessor : public data::SingleParticleAccessor
+{
+public:
+ const walberla::real_t& getInvMass(const size_t /*p_idx*/) const {return invMass_;}
+ void setInvMass(const size_t /*p_idx*/, const walberla::real_t& v) { invMass_ = v;}
+ const walberla::mesa_pd::Mat3& getInvInertiaBF(const size_t /*p_idx*/) const {return invInertiaBF_;}
+ void setInvInertiaBF(const size_t /*p_idx*/, const walberla::mesa_pd::Mat3& v) { invInertiaBF_ = v;}
+
+ walberla::real_t invMass_;
+ walberla::mesa_pd::Mat3 invInertiaBF_;
+};
+
+int main( int argc, char ** argv )
+{
+ Environment env(argc, argv);
+ WALBERLA_UNUSED(env);
+ mpi::MPIManager::instance()->useWorldComm();
+
+ //init data structures
+ SingleParticleAccessor accessor;
+
+ //initialize particle
+ const auto linVel = Vec3(1,2,3);
+ const auto angVel = Vec3(1,2,3);
+
+ const auto force = Vec3(1,2,3);
+ const auto torque = Vec3(1,2,3);
+
+ accessor.setPosition( 0, Vec3(0,0,0));
+ accessor.setRotation( 0, Rot3(Quat()));
+ accessor.setLinearVelocity( 0, linVel);
+ accessor.setAngularVelocity( 0, angVel);
+ accessor.setForce( 0, force);
+ accessor.setTorque( 0, torque);
+ accessor.setInvMass( 0, real_t(1.23456));
+ accessor.setInvInertiaBF( 0, Mat3(real_t(1.23456), real_t(0), real_t(0), real_t(0), real_t(1.23456), real_t(0), real_t(0), real_t(0), real_t(1.23456)));
+
+ //init kernels
+ const real_t dt = real_t(1);
+ kernel::ExplicitEuler integrator( dt );
+
+ integrator(0, accessor);
+
+ //check force
+ WALBERLA_CHECK_FLOAT_EQUAL(accessor.getForce(0), Vec3(0));
+
+ //check velocity
+ WALBERLA_CHECK_FLOAT_EQUAL(accessor.getLinearVelocity(0), force * accessor.getInvMass(0) * dt + linVel);
+
+ //check position
+ WALBERLA_CHECK_FLOAT_EQUAL(accessor.getPosition(0), linVel * dt + force * accessor.getInvMass(0) * dt * dt);
+
+ accessor.setPosition( 0, Vec3(0,0,0));
+ accessor.setRotation( 0, Rot3(Quat()));
+ accessor.setLinearVelocity( 0, linVel);
+ accessor.setAngularVelocity( 0, angVel);
+ accessor.setForce( 0, force);
+ accessor.setTorque( 0, torque);
+ accessor.setInvMass( 0, real_t(1.23456));
+ accessor.setInvInertiaBF( 0, Mat3(real_t(1.23456), real_t(0), real_t(0), real_t(0), real_t(1.23456), real_t(0), real_t(0), real_t(0), real_t(1.23456)));
+ data::particle_flags::set( accessor.getFlagsRef(0), data::particle_flags::FIXED );
+
+ integrator(0, accessor);
+
+ //check force
+ WALBERLA_CHECK_FLOAT_EQUAL(accessor.getForce(0), Vec3(0));
+
+ //check velocity
+ WALBERLA_CHECK_FLOAT_EQUAL(accessor.getLinearVelocity(0), linVel);
+
+ //check position
+ WALBERLA_CHECK_FLOAT_EQUAL(accessor.getPosition(0), Vec3(0,0,0));
+
+ return EXIT_SUCCESS;
+}
+
+} //namespace walberla
+
+int main( int argc, char ** argv )
+{
+ return walberla::main(argc, argv);
+}
diff --git a/tests/mesa_pd/kernel/ExplicitEulerWithShape.cpp b/tests/mesa_pd/kernel/ExplicitEulerWithShape.cpp
new file mode 100644
index 000000000..b04e420b0
--- /dev/null
+++ b/tests/mesa_pd/kernel/ExplicitEulerWithShape.cpp
@@ -0,0 +1,125 @@
+//======================================================================================================================
+//
+// This file is part of waLBerla. waLBerla is free software: you can
+// redistribute it and/or modify it under the terms of the GNU General Public
+// License as published by the Free Software Foundation, either version 3 of
+// the License, or (at your option) any later version.
+//
+// waLBerla is distributed in the hope that it will be useful, but WITHOUT
+// ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
+// FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License
+// for more details.
+//
+// You should have received a copy of the GNU General Public License along
+// with waLBerla (see COPYING.txt). If not, see <http://www.gnu.org/licenses/>.
+//
+//! \file ExplicitEulerWithShape.cpp
+//! \author Sebastian Eibl <sebastian.eibl@fau.de>
+//
+//======================================================================================================================
+
+#include <mesa_pd/data/DataTypes.h>
+#include <mesa_pd/data/ParticleAccessor.h>
+
+#include <mesa_pd/kernel/ExplicitEulerWithShape.h>
+
+#include <core/Environment.h>
+#include <core/logging/Logging.h>
+
+#include <iostream>
+
+namespace walberla {
+
+using namespace walberla::mesa_pd;
+
+class SingleParticleAccessor : public data::SingleParticleAccessor
+{
+public:
+ const walberla::real_t& getInvMass(const size_t /*p_idx*/) const {return invMass_;}
+ void setInvMass(const size_t /*p_idx*/, const walberla::real_t& v) { invMass_ = v;}
+ const walberla::mesa_pd::Mat3& getInvInertiaBF(const size_t /*p_idx*/) const {return invInertiaBF_;}
+ void setInvInertiaBF(const size_t /*p_idx*/, const walberla::mesa_pd::Mat3& v) { invInertiaBF_ = v;}
+
+ walberla::real_t invMass_;
+ walberla::mesa_pd::Mat3 invInertiaBF_;
+};
+
+int main( int argc, char ** argv )
+{
+ Environment env(argc, argv);
+ WALBERLA_UNUSED(env);
+ mpi::MPIManager::instance()->useWorldComm();
+
+ //init data structures
+ SingleParticleAccessor accessor;
+
+ //initialize particle
+ const auto linVel = Vec3(1,2,3);
+ const auto angVel = Vec3(1,2,3);
+
+ const auto force = Vec3(1,2,3);
+ const auto torque = Vec3(1,2,3);
+
+ accessor.setPosition( 0, Vec3(0,0,0));
+ accessor.setRotation( 0, Rot3(Quat()));
+ accessor.setLinearVelocity( 0, linVel);
+ accessor.setAngularVelocity( 0, angVel);
+ accessor.setForce( 0, force);
+ accessor.setTorque( 0, torque);
+ accessor.setInvMass( 0, real_t(1.23456));
+ accessor.setInvInertiaBF( 0, Mat3(real_t(1.23456), real_t(0), real_t(0), real_t(0), real_t(1.23456), real_t(0), real_t(0), real_t(0), real_t(1.23456)));
+
+ //init kernels
+ const real_t dt = real_t(1);
+ kernel::ExplicitEulerWithShape integrator( dt );
+
+ integrator(0, accessor);
+
+ const auto& R = accessor.getRotation(0).getMatrix();
+ const auto wdot = R * accessor.getInvInertiaBF(0) * R.getTranspose() * torque;
+
+ //check force
+ WALBERLA_CHECK_FLOAT_EQUAL(accessor.getForce(0), Vec3(0));
+ WALBERLA_CHECK_FLOAT_EQUAL(accessor.getTorque(0), Vec3(0));
+
+ //check velocity
+ WALBERLA_CHECK_FLOAT_EQUAL(accessor.getLinearVelocity(0), force * accessor.getInvMass(0) * dt + linVel);
+ WALBERLA_CHECK_FLOAT_EQUAL(accessor.getAngularVelocity(0), wdot * dt + angVel);
+
+ //check position
+ WALBERLA_CHECK_FLOAT_EQUAL(accessor.getPosition(0), linVel * dt + force * accessor.getInvMass(0) * dt * dt);
+ WALBERLA_CHECK_FLOAT_EQUAL(accessor.getRotation(0).getQuaternion(), Quat( (wdot * dt + angVel).getNormalized(), (wdot * dt + angVel).length() * dt ));
+
+ accessor.setPosition( 0, Vec3(0,0,0));
+ accessor.setRotation( 0, Rot3(Quat()));
+ accessor.setLinearVelocity( 0, linVel);
+ accessor.setAngularVelocity( 0, angVel);
+ accessor.setForce( 0, force);
+ accessor.setTorque( 0, torque);
+ accessor.setInvMass( 0, real_t(1.23456));
+ accessor.setInvInertiaBF( 0, Mat3(real_t(1.23456), real_t(0), real_t(0), real_t(0), real_t(1.23456), real_t(0), real_t(0), real_t(0), real_t(1.23456)));
+ data::particle_flags::set( accessor.getFlagsRef(0), data::particle_flags::FIXED );
+
+ integrator(0, accessor);
+
+ //check force
+ WALBERLA_CHECK_FLOAT_EQUAL(accessor.getForce(0), Vec3(0));
+ WALBERLA_CHECK_FLOAT_EQUAL(accessor.getTorque(0), Vec3(0));
+
+ //check velocity
+ WALBERLA_CHECK_FLOAT_EQUAL(accessor.getLinearVelocity(0), linVel);
+ WALBERLA_CHECK_FLOAT_EQUAL(accessor.getAngularVelocity(0), angVel);
+
+ //check position
+ WALBERLA_CHECK_FLOAT_EQUAL(accessor.getPosition(0), Vec3(0,0,0));
+ WALBERLA_CHECK_FLOAT_EQUAL(accessor.getRotation(0).getQuaternion(), Quat());
+
+ return EXIT_SUCCESS;
+}
+
+} //namespace walberla
+
+int main( int argc, char ** argv )
+{
+ return walberla::main(argc, argv);
+}
diff --git a/tests/mesa_pd/kernel/ForceLJ.cpp b/tests/mesa_pd/kernel/ForceLJ.cpp
new file mode 100644
index 000000000..6e15f7774
--- /dev/null
+++ b/tests/mesa_pd/kernel/ForceLJ.cpp
@@ -0,0 +1,128 @@
+//======================================================================================================================
+//
+// This file is part of waLBerla. waLBerla is free software: you can
+// redistribute it and/or modify it under the terms of the GNU General Public
+// License as published by the Free Software Foundation, either version 3 of
+// the License, or (at your option) any later version.
+//
+// waLBerla is distributed in the hope that it will be useful, but WITHOUT
+// ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
+// FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License
+// for more details.
+//
+// You should have received a copy of the GNU General Public License along
+// with waLBerla (see COPYING.txt). If not, see <http://www.gnu.org/licenses/>.
+//
+//! \file ForceLJ.cpp
+//! \author Sebastian Eibl <sebastian.eibl@fau.de>
+//
+//======================================================================================================================
+
+#include <mesa_pd/data/ParticleAccessor.h>
+#include <mesa_pd/data/ParticleStorage.h>
+
+#include <mesa_pd/kernel/ForceLJ.h>
+
+#include <core/Environment.h>
+#include <core/logging/Logging.h>
+
+#include <iostream>
+
+namespace walberla {
+
+using namespace walberla::mesa_pd;
+
+int main( int argc, char ** argv )
+{
+ Environment env(argc, argv);
+ WALBERLA_UNUSED(env);
+ mpi::MPIManager::instance()->useWorldComm();
+
+ if (std::is_same<real_t, float>::value)
+ {
+ WALBERLA_LOG_WARNING("waLBerla build in sp mode: skipping test due to low precision");
+ return EXIT_SUCCESS;
+ }
+
+ //init data structures
+ auto ps = std::make_shared<data::ParticleStorage>(100);
+
+ data::Particle&& p1 = *ps->create();
+ p1.getPositionRef() = Vec3(0,0,0);
+ p1.getForceRef() = Vec3(0,0,0);
+ p1.getTypeRef() = 0;
+
+ data::Particle&& p2 = *ps->create();
+ p2.getPositionRef() = Vec3(0,0,0);
+ p2.getForceRef() = Vec3(0,0,0);
+ p2.getTypeRef() = 0;
+
+ data::ParticleAccessor accessor(ps);
+
+ //init kernels
+ kernel::ForceLJ lj(1);
+ lj.setEpsilon(0, 0, real_t(0.121));
+ lj.setSigma (0, 0, real_t(0.212));
+
+ //check equilibrium distance
+ const real_t eq_dist = std::pow(real_t(2), real_t(1.0)/real_t(6.0));
+ accessor.setPosition(1, Vec3( eq_dist * lj.getSigma(0, 0), 0, 0));
+ lj(0, 1, accessor);
+ WALBERLA_CHECK_FLOAT_EQUAL( p1.getForce(), Vec3(0,0,0) );
+ WALBERLA_CHECK_FLOAT_EQUAL( p2.getForce(), Vec3(0,0,0) );
+
+ //force is zero for large distances
+ accessor.setForce(0, Vec3(0,0,0));
+ accessor.setForce(1, Vec3(0,0,0));
+ accessor.setPosition(1, Vec3( eq_dist * lj.getSigma(0, 0) * real_t(100), 0, 0));
+ lj(0, 1, accessor);
+ WALBERLA_CHECK_FLOAT_EQUAL( accessor.getForce(0), Vec3(0,0,0) );
+ WALBERLA_CHECK_FLOAT_EQUAL( accessor.getForce(1), Vec3(0,0,0) );
+
+ //attractive
+ p1.getForceRef() = Vec3(0,0,0);
+ p2.getForceRef() = Vec3(0,0,0);
+ p2.getPositionRef() = Vec3( real_t(2) * lj.getSigma(0, 0), 0, 0);
+ lj(0, 1, accessor);
+ WALBERLA_CHECK_GREATER( p1.getForce()[0], real_t(0), p1 << p2 );
+ WALBERLA_CHECK_LESS ( p2.getForce()[0], real_t(0), p1 << p2 );
+
+ //repulsive
+ p1.getForceRef() = Vec3(0,0,0);
+ p2.getForceRef() = Vec3(0,0,0);
+ p2.getPositionRef() = Vec3( lj.getSigma(0, 0), 0, 0);
+ lj(0, 1, accessor);
+ WALBERLA_CHECK_LESS ( p1.getForce()[0], real_t(0), p1 << p2 );
+ WALBERLA_CHECK_GREATER( p2.getForce()[0], real_t(0), p1 << p2 );
+
+ //action = reactio
+ p1.getForceRef() = Vec3(0,0,0);
+ p2.getForceRef() = Vec3(0,0,0);
+ p2.getPositionRef() = Vec3( 1, 2, 3) * real_t(0.1);
+ lj(0, 1, accessor);
+ WALBERLA_CHECK_FLOAT_EQUAL( p1.getForce(), -p2.getForce() );
+
+ // thread safety test
+ auto singleForce = p1.getForce();
+#ifdef _OPENMP
+#pragma omp parallel for schedule(static)
+#endif
+ for (int i = 0; i < 100; ++i)
+ lj(0, 1, accessor);
+
+ WALBERLA_LOG_DEVEL(p1);
+ WALBERLA_LOG_DEVEL(p2);
+ WALBERLA_CHECK_FLOAT_EQUAL( p1.getForce(), -p2.getForce() );
+ WALBERLA_CHECK_FLOAT_EQUAL_EPSILON( p1.getForce(),
+ real_t(101) * singleForce,
+ real_t(1e-13) );
+
+ return EXIT_SUCCESS;
+}
+
+} //namespace walberla
+
+int main( int argc, char ** argv )
+{
+ return walberla::main(argc, argv);
+}
diff --git a/tests/mesa_pd/kernel/GenerateAnalyticContacts.cpp b/tests/mesa_pd/kernel/GenerateAnalyticContacts.cpp
new file mode 100644
index 000000000..f85423e4e
--- /dev/null
+++ b/tests/mesa_pd/kernel/GenerateAnalyticContacts.cpp
@@ -0,0 +1,176 @@
+//======================================================================================================================
+//
+// This file is part of waLBerla. waLBerla is free software: you can
+// redistribute it and/or modify it under the terms of the GNU General Public
+// License as published by the Free Software Foundation, either version 3 of
+// the License, or (at your option) any later version.
+//
+// waLBerla is distributed in the hope that it will be useful, but WITHOUT
+// ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
+// FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License
+// for more details.
+//
+// You should have received a copy of the GNU General Public License along
+// with waLBerla (see COPYING.txt). If not, see <http://www.gnu.org/licenses/>.
+//
+//! \file GenerateAnalyticContacts.cpp
+//! \author Sebastian Eibl <sebastian.eibl@fau.de>
+//
+//======================================================================================================================
+
+#include <mesa_pd/collision_detection/AnalyticContactDetection.h>
+#include <mesa_pd/data/LinkedCells.h>
+#include <mesa_pd/data/ParticleAccessor.h>
+#include <mesa_pd/data/ParticleStorage.h>
+#include <mesa_pd/data/ShapeStorage.h>
+#include <mesa_pd/domain/BlockForestDomain.h>
+#include <mesa_pd/kernel/DoubleCast.h>
+#include <mesa_pd/kernel/InsertParticleIntoLinkedCells.h>
+#include <mesa_pd/kernel/ParticleSelector.h>
+#include <mesa_pd/mpi/ContactFilter.h>
+#include <mesa_pd/mpi/notifications/ForceTorqueNotification.h>
+#include <mesa_pd/mpi/ReduceProperty.h>
+#include <mesa_pd/mpi/SyncNextNeighbors.h>
+
+#include <blockforest/BlockForest.h>
+#include <blockforest/Initialization.h>
+#include <core/Environment.h>
+#include <core/grid_generator/SCIterator.h>
+#include <core/logging/Logging.h>
+#include <core/mpi/Reduce.h>
+
+#include <iostream>
+#include <memory>
+
+namespace walberla {
+namespace mesa_pd {
+
+class ParticleAccessorWithShape : public data::ParticleAccessor
+{
+public:
+ ParticleAccessorWithShape(std::shared_ptr<data::ParticleStorage>& ps, std::shared_ptr<data::ShapeStorage>& ss)
+ : ParticleAccessor(ps)
+ , ss_(ss)
+ {}
+
+ const walberla::real_t& getInvMass(const size_t p_idx) const {return ss_->shapes[ps_->getShapeID(p_idx)]->getInvMass();}
+ walberla::real_t& getInvMassRef(const size_t p_idx) {return ss_->shapes[ps_->getShapeID(p_idx)]->getInvMass();}
+ void setInvMass(const size_t p_idx, const walberla::real_t& v) { ss_->shapes[ps_->getShapeID(p_idx)]->getInvMass() = v;}
+
+ const auto& getInvInertiaBF(const size_t p_idx) const {return ss_->shapes[ps_->getShapeID(p_idx)]->getInvInertiaBF();}
+ auto& getInvInertiaBFRef(const size_t p_idx) {return ss_->shapes[ps_->getShapeID(p_idx)]->getInvInertiaBF();}
+ void setInvInertiaBF(const size_t p_idx, const Mat3& v) { ss_->shapes[ps_->getShapeID(p_idx)]->getInvInertiaBF() = v;}
+
+ data::BaseShape* getShape(const size_t p_idx) const {return ss_->shapes[ps_->getShapeID(p_idx)].get();}
+private:
+ std::shared_ptr<data::ShapeStorage> ss_;
+};
+
+int main( int argc, char ** argv )
+{
+ Environment env(argc, argv);
+ WALBERLA_UNUSED(env);
+ walberla::mpi::MPIManager::instance()->useWorldComm();
+
+ //init domain partitioning
+ auto forest = blockforest::createBlockForest( AABB(0,0,0,3,3,3), // simulation domain
+ Vector3<uint_t>(3,3,3), // blocks in each direction
+ Vector3<bool>(true, true, true) // periodicity
+ );
+ domain::BlockForestDomain domain(forest);
+
+ //init data structures
+ auto ps = std::make_shared<data::ParticleStorage>(100);
+ auto ss = std::make_shared<data::ShapeStorage>();
+ ParticleAccessorWithShape accessor(ps, ss);
+ data::LinkedCells lc(math::AABB(-1,-1,-1,4,4,4), real_t(1));
+
+ //initialize particles
+ const real_t radius = real_t(0.6);
+ const real_t spacing = real_t(1.0);
+ auto smallSphere = ss->create<data::Sphere>( radius );
+ ss->shapes[smallSphere]->updateMassAndInertia(real_t(2707));
+
+ WALBERLA_CHECK_EQUAL(forest->size(), 1);
+ const Block& blk = *static_cast<blockforest::Block*>(&*forest->begin());
+
+ for (auto pt : grid_generator::SCGrid(blk.getAABB(), Vec3(spacing, spacing, spacing) * real_c(0.5), spacing))
+ {
+ data::Particle&& p = *ps->create();
+ p.getPositionRef() = pt;
+ p.getInteractionRadiusRef() = radius;
+ p.getShapeIDRef() = smallSphere;
+ p.getOwnerRef() = walberla::mpi::MPIManager::instance()->rank();
+ }
+
+ //init kernels
+ kernel::InsertParticleIntoLinkedCells insert_particle_into_linked_cells;
+ mpi::ReduceProperty RP;
+ mpi::SyncNextNeighbors SNN;
+
+
+ SNN(*ps, domain);
+ ps->forEachParticlePairHalf(false,
+ kernel::ExcludeInfiniteInfinite(),
+ accessor,
+ [&](const size_t idx1, const size_t idx2, auto& ac)
+ {
+ collision_detection::AnalyticContactDetection acd;
+ kernel::DoubleCast double_cast;
+ mpi::ContactFilter contact_filter;
+ if (double_cast(idx1, idx2, ac, acd, ac ))
+ {
+ if (contact_filter(acd.getIdx1(), acd.getIdx2(), ac, acd.getContactPoint(), domain))
+ {
+ ac.getForceRef(acd.getIdx1()) += acd.getContactNormal() + Vec3(1,0,0);
+ ac.getForceRef(acd.getIdx2()) -= acd.getContactNormal() - Vec3(1,0,0);
+ }
+ }
+ },
+ accessor );
+
+ RP.operator()<ForceTorqueNotification>(*ps);
+
+ WALBERLA_CHECK_FLOAT_EQUAL(ps->getForce(0), Vec3(6,0,0));
+
+ //TEST WITH LINKED CELLS
+ ps->forEachParticle(false, kernel::SelectAll(), accessor, [](size_t idx, auto& ac) {ac.setForce(idx, Vec3(0,0,0));}, accessor);
+ lc.clear();
+ ps->forEachParticle(false, kernel::SelectAll(), accessor, insert_particle_into_linked_cells, accessor, lc);
+
+ lc.forEachParticlePairHalf(false,
+ kernel::ExcludeInfiniteInfinite(),
+ accessor,
+ [&domain](const size_t idx1, const size_t idx2, auto& ac)
+ {
+ collision_detection::AnalyticContactDetection acd;
+ kernel::DoubleCast double_cast;
+ mpi::ContactFilter contact_filter;
+ if (double_cast(idx1, idx2, ac, acd, ac ))
+ {
+ if (contact_filter(acd.getIdx1(), acd.getIdx2(), ac, acd.getContactPoint(), domain))
+ {
+ ac.getForceRef(acd.getIdx1()) += acd.getContactNormal() + Vec3(1,0,0);
+ ac.getForceRef(acd.getIdx2()) -= acd.getContactNormal() - Vec3(1,0,0);
+ }
+ }
+ },
+ accessor );
+
+ RP.operator()<ForceTorqueNotification>(*ps);
+
+ WALBERLA_CHECK_FLOAT_EQUAL(ps->getForce(0), Vec3(6,0,0));
+
+ //ps->forEachParticle(false, [](data::ParticleStorage& ps, size_t idx) {WALBERLA_LOG_DEVEL_ON_ROOT(*ps[idx]);});
+ //cs.forEachContact(false, [](data::ContactStorage& cs, size_t idx) {WALBERLA_LOG_DEVEL_ON_ROOT(*cs[idx]);});
+
+ return EXIT_SUCCESS;
+}
+
+} //namespace mesa_pd
+} //namespace walberla
+
+int main( int argc, char ** argv )
+{
+ return walberla::mesa_pd::main(argc, argv);
+}
diff --git a/tests/mesa_pd/kernel/GenerateLinkedCells.cpp b/tests/mesa_pd/kernel/GenerateLinkedCells.cpp
new file mode 100644
index 000000000..ef4724b5e
--- /dev/null
+++ b/tests/mesa_pd/kernel/GenerateLinkedCells.cpp
@@ -0,0 +1,111 @@
+//======================================================================================================================
+//
+// This file is part of waLBerla. waLBerla is free software: you can
+// redistribute it and/or modify it under the terms of the GNU General Public
+// License as published by the Free Software Foundation, either version 3 of
+// the License, or (at your option) any later version.
+//
+// waLBerla is distributed in the hope that it will be useful, but WITHOUT
+// ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
+// FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License
+// for more details.
+//
+// You should have received a copy of the GNU General Public License along
+// with waLBerla (see COPYING.txt). If not, see <http://www.gnu.org/licenses/>.
+//
+//! \file GenerateLinkedCells.cpp
+//! \author Sebastian Eibl <sebastian.eibl@fau.de>
+//
+//======================================================================================================================
+
+#include <mesa_pd/kernel/ExplicitEuler.h>
+#include <mesa_pd/kernel/ForceLJ.h>
+#include <mesa_pd/kernel/InsertParticleIntoLinkedCells.h>
+#include <mesa_pd/kernel/ParticleSelector.h>
+
+#include <mesa_pd/data/LinkedCells.h>
+#include <mesa_pd/data/ParticleAccessor.h>
+#include <mesa_pd/data/ParticleStorage.h>
+
+#include <core/Environment.h>
+#include <core/grid_generator/SCIterator.h>
+#include <core/logging/Logging.h>
+
+#include <iostream>
+
+namespace walberla {
+
+using namespace walberla::mesa_pd;
+
+int main( int argc, char ** argv )
+{
+ Environment env(argc, argv);
+ WALBERLA_UNUSED(env);
+ mpi::MPIManager::instance()->useWorldComm();
+
+ //domain setup
+ const real_t spacing = real_t(1.0);
+ math::AABB domain( Vec3(real_t(-0.5), real_t(-0.5), real_t(-0.5)),
+ Vec3(real_t(+0.5), real_t(+0.5), real_t(+0.5)));
+ domain.scale(real_t(10));
+
+ //init data structures
+ auto storage = std::make_shared<data::ParticleStorage>(100);
+ data::LinkedCells linkedCells(domain.getScaled(2), real_t(1));
+
+ data::ParticleAccessor accessor(storage);
+
+ //initialize particles
+ for (auto it = grid_generator::SCIterator(domain, Vec3(spacing, spacing, spacing) * real_c(0.5), spacing);
+ it != grid_generator::SCIterator();
+ ++it)
+ {
+ data::Particle&& p = *storage->create();
+ p.getPositionRef() = (*it);
+ }
+
+ //init kernels
+ kernel::InsertParticleIntoLinkedCells ipilc;
+ kernel::ForceLJ lj(1);
+ kernel::ExplicitEuler integrator( real_t(0.01) );
+
+ //timeloop
+ for (auto timestep = 0; timestep < 100; ++timestep)
+ {
+ linkedCells.clear();
+ storage->forEachParticle(true, kernel::SelectAll(), accessor, ipilc, accessor, linkedCells);
+
+ int particleCounter = 0;
+ for (int x = 0; x < linkedCells.numCellsPerDim_[0]; ++x)
+ for (int y = 0; y < linkedCells.numCellsPerDim_[1]; ++y)
+ for (int z = 0; z < linkedCells.numCellsPerDim_[2]; ++z)
+ {
+ const int cell_idx = getCellIdx(linkedCells, x, y, z);
+ auto aabb = getCellAABB(linkedCells, x, y, z);
+ int p_idx = linkedCells.cells_[uint_c(cell_idx)];
+ while (p_idx != -1)
+ {
+ ++particleCounter;
+ WALBERLA_CHECK( aabb.contains( storage->getPosition(uint_c(p_idx)) ),
+ "Particle(" << p_idx << ") with position (" <<
+ storage->getPosition(uint_c(p_idx)) <<
+ ") not contained in cell(" << x << ", " << y << ", " << z <<
+ ") with aabb: " << aabb << ".");
+ p_idx = storage->getNextParticle(uint_c(p_idx));
+ }
+ }
+ WALBERLA_CHECK_EQUAL(particleCounter, storage->size());
+ linkedCells.forEachParticlePairHalf(true, kernel::SelectAll(), accessor, lj, accessor);
+ std::for_each(storage->begin(), storage->end(), [](data::Particle&& p){ p.getForceRef() = -p.getPosition() + p.getForce(); });
+ storage->forEachParticle(true, kernel::SelectAll(), accessor, integrator, accessor);
+ }
+
+ return EXIT_SUCCESS;
+}
+
+} //namespace walberla
+
+int main( int argc, char ** argv )
+{
+ return walberla::main(argc, argv);
+}
diff --git a/tests/mesa_pd/kernel/HeatConduction.cpp b/tests/mesa_pd/kernel/HeatConduction.cpp
new file mode 100644
index 000000000..466ae1f58
--- /dev/null
+++ b/tests/mesa_pd/kernel/HeatConduction.cpp
@@ -0,0 +1,79 @@
+//======================================================================================================================
+//
+// This file is part of waLBerla. waLBerla is free software: you can
+// redistribute it and/or modify it under the terms of the GNU General Public
+// License as published by the Free Software Foundation, either version 3 of
+// the License, or (at your option) any later version.
+//
+// waLBerla is distributed in the hope that it will be useful, but WITHOUT
+// ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
+// FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License
+// for more details.
+//
+// You should have received a copy of the GNU General Public License along
+// with waLBerla (see COPYING.txt). If not, see <http://www.gnu.org/licenses/>.
+//
+//! \file HeatConduction.cpp
+//! \author Sebastian Eibl <sebastian.eibl@fau.de>
+//
+//======================================================================================================================
+
+#include <mesa_pd/data/ParticleAccessor.h>
+#include <mesa_pd/data/ParticleStorage.h>
+#include <mesa_pd/kernel/HeatConduction.h>
+
+#include <core/Environment.h>
+#include <core/logging/Logging.h>
+
+#include <iostream>
+
+namespace walberla {
+
+using namespace walberla::mesa_pd;
+
+int main( int argc, char ** argv )
+{
+ Environment env(argc, argv);
+ WALBERLA_UNUSED(env);
+ mpi::MPIManager::instance()->useWorldComm();
+
+ if (std::is_same<real_t, float>::value)
+ {
+ WALBERLA_LOG_WARNING("waLBerla build in sp mode: skipping test due to low precision");
+ return EXIT_SUCCESS;
+ }
+
+ //init data structures
+ auto ps = std::make_shared<data::ParticleStorage>(100);
+
+ data::ParticleAccessor ac(ps);
+
+ data::Particle&& p1 = *ps->create();
+ p1.setTemperature(10);
+ p1.setType( 0 );
+
+ data::Particle&& p2 = *ps->create();
+ p2.setTemperature(20);
+ p2.setType( 0 );
+
+ // Init kernels
+ kernel::HeatConduction heatConduction(1);
+ heatConduction.setConductance(0, 0, real_t(0.2));
+
+ // single contact test
+ heatConduction(0,
+ 1,
+ ac);
+
+ WALBERLA_CHECK_FLOAT_EQUAL( ps->getHeatFlux(0), -ps->getHeatFlux(1) );
+ WALBERLA_CHECK_FLOAT_EQUAL( ps->getHeatFlux(0), real_t(2) );
+
+ return EXIT_SUCCESS;
+}
+
+} //namespace walberla
+
+int main( int argc, char ** argv )
+{
+ return walberla::main(argc, argv);
+}
diff --git a/tests/mesa_pd/kernel/IntegratorAccuracy.cpp b/tests/mesa_pd/kernel/IntegratorAccuracy.cpp
new file mode 100644
index 000000000..48f623466
--- /dev/null
+++ b/tests/mesa_pd/kernel/IntegratorAccuracy.cpp
@@ -0,0 +1,180 @@
+//======================================================================================================================
+//
+// This file is part of waLBerla. waLBerla is free software: you can
+// redistribute it and/or modify it under the terms of the GNU General Public
+// License as published by the Free Software Foundation, either version 3 of
+// the License, or (at your option) any later version.
+//
+// waLBerla is distributed in the hope that it will be useful, but WITHOUT
+// ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
+// FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License
+// for more details.
+//
+// You should have received a copy of the GNU General Public License along
+// with waLBerla (see COPYING.txt). If not, see <http://www.gnu.org/licenses/>.
+//
+//! \file IntegratorAccuracy.cpp
+//! \author Christoph Rettinger <christoph.rettinger@fau.de>
+//
+//======================================================================================================================
+
+#include "mesa_pd/data/ParticleAccessor.h"
+#include "mesa_pd/data/ParticleStorage.h"
+
+#include "mesa_pd/kernel/ParticleSelector.h"
+#include "mesa_pd/kernel/VelocityVerlet.h"
+#include "mesa_pd/kernel/ExplicitEuler.h"
+
+#include "core/Environment.h"
+#include "core/logging/Logging.h"
+#include "core/math/all.h"
+
+#include <iostream>
+
+namespace integrator_accuracy
+{
+
+using namespace walberla;
+
+using namespace walberla::mesa_pd;
+
+
+Vec3 getForce(const Vec3& pos, real_t k)
+{
+ return -k * pos;
+}
+
+real_t analyticalTrajectory(real_t amplitude, real_t timeStep, real_t omega, real_t phase)
+{
+ return amplitude * std::cos(omega * timeStep + phase);
+}
+
+real_t analyticalVelocity(real_t amplitude, real_t timeStep, real_t omega, real_t phase)
+{
+ return -amplitude * omega * std::sin(omega * timeStep + phase);
+}
+
+
+/*
+ * Simulates a harmonic oscillator to test the accuracy of the integrators.
+ * The error of the maximum position and the maximum velocity is compared against the analytical values.
+ * Via command line arguments, the simulation can be adapted.
+ * Currently tested integrators:
+ * - explicit Euler (default)
+ * - velocity verlet (-useVV)
+ */
+int main( int argc, char ** argv )
+{
+ mpi::Environment env(argc, argv);
+ WALBERLA_UNUSED(env);
+ mpi::MPIManager::instance()->useWorldComm();
+
+ real_t amplitude = real_t(1.5);
+ real_t k = real_t(0.1);
+ real_t mass = real_t(0.9);
+ real_t dt = real_t(0.2);
+ bool useVelocityVerlet = false;
+ real_t phaseFraction = real_t(0);
+ real_t periods = real_t(1.1);
+
+ for( int i = 1; i < argc; ++i )
+ {
+ if( std::strcmp( argv[i], "--useVV" ) == 0 ) { useVelocityVerlet = true; continue; }
+ if( std::strcmp( argv[i], "--dt" ) == 0 ) { dt = real_c(std::atof( argv[++i] )); continue; }
+ if( std::strcmp( argv[i], "--amplitude" ) == 0 ) { amplitude = real_c(std::atof( argv[++i] )); continue; }
+ if( std::strcmp( argv[i], "--k" ) == 0 ) { k = real_c(std::atof( argv[++i] )); continue; }
+ if( std::strcmp( argv[i], "--mass" ) == 0 ) { mass = real_c(std::atof( argv[++i] )); continue; }
+ if( std::strcmp( argv[i], "--phaseFraction" ) == 0 ) { phaseFraction = real_c(std::atof( argv[++i] )); continue; }
+ if( std::strcmp( argv[i], "--periods" ) == 0 ) { periods = real_c(std::atof( argv[++i] )); continue; }
+ WALBERLA_ABORT("Unrecognized command line argument found: " << argv[i]);
+ }
+
+
+ real_t phase = phaseFraction * math::M_PI;
+ real_t omega = std::sqrt(k / mass);
+ real_t durationOnePeriod = real_t(2) * math::M_PI / omega;
+ uint_t timeSteps = uint_c(periods * durationOnePeriod / dt);
+
+ WALBERLA_LOG_INFO("omega = " << omega << ", T = " << real_t(2) * math::M_PI / omega << ", time steps = " << timeSteps << ", phase = " << phase << ", periods = " << periods);
+
+ //initialize particle
+ const auto pos = Vec3(0,0,analyticalTrajectory(amplitude, real_t(0), omega, phase));
+ const auto linVel = Vec3(0,0,analyticalVelocity(amplitude, real_t(0), omega, phase));
+
+ WALBERLA_LOG_INFO("Initial pos = " << pos << ", vel = " << linVel);
+
+ //init data structures
+ auto ps = std::make_shared<data::ParticleStorage>(1);
+ data::ParticleAccessor accessor(ps);
+
+ data::Particle&& p = *ps->create();
+ p.setPosition(pos);
+ p.setLinearVelocity(linVel);
+ p.setForce(getForce(pos, k));
+ p.setOldForce(getForce(pos, k));
+ p.setInvMass(real_t(1) / mass);
+
+ // velocity verlet
+ kernel::VelocityVerletPreForceUpdate preForce( dt );
+ kernel::VelocityVerletPostForceUpdate postForce( dt );
+
+ // explicit euler
+ kernel::ExplicitEuler explEuler( dt );
+
+ real_t maxVel = 0.;
+ real_t maxRefVel = 0.;
+ real_t maxPos = 0.;
+ real_t maxRefPos = 0.;
+
+ for (auto i = uint_t(1); i <= timeSteps; ++i)
+ {
+
+ if( useVelocityVerlet ) ps->forEachParticle(false, kernel::SelectAll(), accessor, preForce, accessor);
+ p.setForce( getForce(p.getPosition(), k) );
+ auto force = p.getForce();
+
+ if( useVelocityVerlet ) ps->forEachParticle(false, kernel::SelectAll(), accessor, postForce, accessor);
+ else ps->forEachParticle(false, kernel::SelectAll(), accessor, explEuler, accessor);
+
+ real_t refPos = analyticalTrajectory(amplitude, real_c(i) * dt, omega, phase);
+ real_t refVel = analyticalVelocity(amplitude, real_c(i) * dt, omega, phase);
+
+ WALBERLA_LOG_INFO(i << ": pos = " << p.getPosition()[2] << " " << refPos
+ << " || vel = " << p.getLinearVelocity()[2] << " " << refVel
+ << " || force = " << force[2] );
+
+ maxPos = std::max(maxPos, std::abs(p.getPosition()[2]));
+ maxRefPos = std::max(maxRefPos, std::abs(refPos));
+
+ maxVel = std::max(maxVel, std::abs(p.getLinearVelocity()[2]));
+ maxRefVel = std::max(maxRefVel, std::abs(refVel));
+ }
+
+ real_t relativePositionError = ( maxPos - maxRefPos ) / maxRefPos;
+ WALBERLA_LOG_INFO("error in position = " << relativePositionError * 100. << "%");
+
+ real_t relativeVelocityError = ( maxVel - maxRefVel ) / maxRefVel;
+ WALBERLA_LOG_INFO("error in velocity = " << relativeVelocityError * 100. << "%");
+
+ if( useVelocityVerlet )
+ {
+ WALBERLA_CHECK_LESS(relativePositionError, real_t(0.01), "Error in position too large!");
+ WALBERLA_CHECK_LESS(relativeVelocityError, real_t(0.01), "Error in velocity too large!");
+ }
+ else
+ {
+ WALBERLA_CHECK_LESS(relativePositionError, real_t(0.11), "Error in position too large!");
+ WALBERLA_CHECK_LESS(relativeVelocityError, real_t(0.10), "Error in velocity too large!");
+ }
+
+
+ return EXIT_SUCCESS;
+}
+
+} //namespace integrator_accuracy
+
+int main( int argc, char ** argv )
+{
+ return integrator_accuracy::main(argc, argv);
+}
+
diff --git a/tests/mesa_pd/kernel/Interfaces.cpp b/tests/mesa_pd/kernel/Interfaces.cpp
new file mode 100644
index 000000000..25fabf624
--- /dev/null
+++ b/tests/mesa_pd/kernel/Interfaces.cpp
@@ -0,0 +1,26 @@
+//======================================================================================================================
+//
+// This file is part of waLBerla. waLBerla is free software: you can
+// redistribute it and/or modify it under the terms of the GNU General Public
+// License as published by the Free Software Foundation, either version 3 of
+// the License, or (at your option) any later version.
+//
+// waLBerla is distributed in the hope that it will be useful, but WITHOUT
+// ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
+// FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License
+// for more details.
+//
+// You should have received a copy of the GNU General Public License along
+// with waLBerla (see COPYING.txt). If not, see <http://www.gnu.org/licenses/>.
+//
+//! \file Interfaces.cpp
+//! \author Sebastian Eibl <sebastian.eibl@fau.de>
+//
+//======================================================================================================================
+
+#include <cstdlib>
+
+int main( int /*argc*/, char ** /*argv*/ )
+{
+ return EXIT_SUCCESS;
+}
diff --git a/tests/mesa_pd/kernel/LinearSpringDashpot.cpp b/tests/mesa_pd/kernel/LinearSpringDashpot.cpp
new file mode 100644
index 000000000..9fcce832d
--- /dev/null
+++ b/tests/mesa_pd/kernel/LinearSpringDashpot.cpp
@@ -0,0 +1,224 @@
+//======================================================================================================================
+//
+// This file is part of waLBerla. waLBerla is free software: you can
+// redistribute it and/or modify it under the terms of the GNU General Public
+// License as published by the Free Software Foundation, either version 3 of
+// the License, or (at your option) any later version.
+//
+// waLBerla is distributed in the hope that it will be useful, but WITHOUT
+// ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
+// FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License
+// for more details.
+//
+// You should have received a copy of the GNU General Public License along
+// with waLBerla (see COPYING.txt). If not, see <http://www.gnu.org/licenses/>.
+//
+//! \file DEMTangentialCollision.cpp
+//! \author Christoph Rettinger <christoph.rettinger@fau.de>
+//
+//======================================================================================================================
+
+#include "mesa_pd/collision_detection/AnalyticContactDetection.h"
+#include "mesa_pd/common/ParticleFunctions.h"
+
+#include "mesa_pd/data/ParticleAccessor.h"
+#include "mesa_pd/data/ParticleStorage.h"
+#include "mesa_pd/data/ShapeStorage.h"
+
+#include "mesa_pd/kernel/DoubleCast.h"
+#include "mesa_pd/kernel/ExplicitEulerWithShape.h"
+#include "mesa_pd/kernel/VelocityVerletWithShape.h"
+#include "mesa_pd/kernel/LinearSpringDashpot.h"
+#include "mesa_pd/mpi/ReduceContactHistory.h"
+
+#include "core/Environment.h"
+#include "core/logging/Logging.h"
+
+#include <iostream>
+
+namespace walberla {
+namespace mesa_pd {
+
+class ParticleAccessorWithShape : public data::ParticleAccessor
+{
+public:
+ ParticleAccessorWithShape(std::shared_ptr<data::ParticleStorage>& ps, std::shared_ptr<data::ShapeStorage>& ss)
+ : ParticleAccessor(ps)
+ , ss_(ss)
+ {}
+
+ const walberla::real_t& getInvMass(const size_t p_idx) const {return ss_->shapes[ps_->getShapeID(p_idx)]->getInvMass();}
+ walberla::real_t& getInvMassRef(const size_t p_idx) {return ss_->shapes[ps_->getShapeID(p_idx)]->getInvMass();}
+ void setInvMass(const size_t p_idx, const walberla::real_t& v) { ss_->shapes[ps_->getShapeID(p_idx)]->getInvMass() = v;}
+
+ const auto& getInvInertiaBF(const size_t p_idx) const {return ss_->shapes[ps_->getShapeID(p_idx)]->getInvInertiaBF();}
+ auto& getInvInertiaBFRef(const size_t p_idx) {return ss_->shapes[ps_->getShapeID(p_idx)]->getInvInertiaBF();}
+ void setInvInertiaBF(const size_t p_idx, const Mat3& v) { ss_->shapes[ps_->getShapeID(p_idx)]->getInvInertiaBF() = v;}
+
+ data::BaseShape* getShape(const size_t p_idx) const {return ss_->shapes[ps_->getShapeID(p_idx)].get();}
+private:
+ std::shared_ptr<data::ShapeStorage> ss_;
+};
+
+
+/*
+ * Simulates oblique sphere-wall collision and checks rebound angle, i.e. the tangential part of the collision model.
+ *
+ */
+int main( int argc, char ** argv )
+{
+ walberla::mpi::Environment env(argc, argv);
+ WALBERLA_UNUSED(env);
+ walberla::mpi::MPIManager::instance()->useWorldComm();
+
+ real_t impactAngle = real_t(0);
+ real_t dt = real_c(2e-7);
+ real_t frictionCoeff_s = real_t(0.8);
+ real_t frictionCoeff_d = real_t(0.125);
+ std::string filename = "TangentialCollision.txt";
+ real_t collisionDuration = real_t(10);
+ real_t nu = real_t(0.22); //Poissons ratio
+ bool useVelocityVerlet = false;
+
+ for( int i = 1; i < argc; ++i )
+ {
+ if( std::strcmp( argv[i], "--impactAngle" ) == 0 ) { impactAngle = real_c( std::atof( argv[++i] ) ); continue; }
+ if( std::strcmp( argv[i], "--dt" ) == 0 ) { dt = real_c( std::atof( argv[++i] ) ); continue; }
+ if( std::strcmp( argv[i], "--staticFriction" ) == 0 ) { frictionCoeff_s = real_c( std::atof( argv[++i] ) ); continue; }
+ if( std::strcmp( argv[i], "--dynamicFriction" ) == 0 ) { frictionCoeff_d = real_c( std::atof( argv[++i] ) ); continue; }
+ if( std::strcmp( argv[i], "--collisionDuration" ) == 0 ) { collisionDuration = real_c( std::atof( argv[++i] ) ); continue; }
+ if( std::strcmp( argv[i], "--nu" ) == 0 ) { nu = real_c( std::atof( argv[++i] ) ); continue; }
+ if( std::strcmp( argv[i], "--filename" ) == 0 ) { filename = argv[++i]; continue; }
+ if( std::strcmp( argv[i], "--useVV" ) == 0 ) { useVelocityVerlet = true; continue; }
+ }
+
+ WALBERLA_LOG_INFO_ON_ROOT("******************************************************");
+ WALBERLA_LOG_INFO_ON_ROOT("** NEW SIMULATION **");
+ WALBERLA_LOG_INFO_ON_ROOT("******************************************************");
+ WALBERLA_LOG_INFO_ON_ROOT("impactAngle = " << impactAngle);
+ WALBERLA_LOG_INFO_ON_ROOT("dt = " << dt);
+ WALBERLA_LOG_INFO_ON_ROOT("frictionCoeff_s = " << frictionCoeff_s);
+ WALBERLA_LOG_INFO_ON_ROOT("frictionCoeff_d = " << frictionCoeff_d);
+ WALBERLA_LOG_INFO_ON_ROOT("collisionDuration = " << collisionDuration);
+ WALBERLA_LOG_INFO_ON_ROOT("nu = " << nu);
+
+ real_t radius = real_c(0.00159);
+ real_t density = real_c(2500);
+ real_t restitutionCoeff = real_t(0.83);
+ real_t collisionTime = collisionDuration * dt;
+
+ //init data structures
+ auto ps = walberla::make_shared<data::ParticleStorage>(2);
+ auto ss = walberla::make_shared<data::ShapeStorage>();
+ using ParticleAccessor_T = ParticleAccessorWithShape;
+ auto accessor = walberla::make_shared<ParticleAccessor_T >(ps, ss);
+
+ auto sphereShape = ss->create<data::Sphere>( radius );
+ ss->shapes[sphereShape]->updateMassAndInertia(density);
+
+ const real_t particleMass = real_t(1) / ss->shapes[sphereShape]->getInvMass();
+ const real_t Mij = particleMass; // * particleMass / ( real_t(2) * particleMass ); // Mij = M for sphere-wall collision
+ const real_t lnDryResCoeff = std::log(restitutionCoeff);
+
+ // normal material aprameters
+ const real_t stiffnessN = math::M_PI * math::M_PI * Mij / ( collisionTime * collisionTime * ( real_t(1) - lnDryResCoeff * lnDryResCoeff / ( math::M_PI * math::M_PI + lnDryResCoeff* lnDryResCoeff )) );
+ const real_t dampingN = - real_t(2) * std::sqrt( Mij * stiffnessN ) *
+ ( lnDryResCoeff / std::sqrt( math::M_PI * math::M_PI + ( lnDryResCoeff * lnDryResCoeff ) ) );
+
+ WALBERLA_LOG_INFO_ON_ROOT("normal: stiffness = " << stiffnessN << ", damping = " << dampingN);
+
+ const real_t lnDryResCoeffTangential = lnDryResCoeff; // std::log(0.31); //TODO: was same as in normal direction
+ const real_t kappa = real_t(2) * ( real_t(1) - nu ) / ( real_t(2) - nu ) ;
+ const real_t stiffnessT = kappa * Mij * math::M_PI * math::M_PI / ( collisionTime * collisionTime );
+ const real_t dampingT = real_t(2) * std::sqrt(Mij * stiffnessT) * ( - lnDryResCoeffTangential ) / ( std::sqrt( math::M_PI * math::M_PI + lnDryResCoeffTangential * lnDryResCoeffTangential ));
+
+ WALBERLA_LOG_INFO_ON_ROOT("tangential: kappa = " << kappa << ", stiffness T = " << stiffnessT << ", damping T = " << dampingT);
+
+ real_t uNin = real_t(1);
+ real_t uTin = uNin * impactAngle;
+
+ // create sphere
+ data::Particle&& p = *ps->create();
+ p.setPosition(Vec3(0,0,2*radius));
+ p.setLinearVelocity(Vec3(uTin, 0., -uNin));
+ p.setType(0);
+
+ // create plane
+ data::Particle&& p0 = *ps->create(true);
+ p0.setPosition(Vec3(0,0,0));
+ p0.setShapeID(ss->create<data::HalfSpace>(Vector3<real_t>(0,0,1)));
+ p0.setType(0);
+ data::particle_flags::set(p0.getFlagsRef(), data::particle_flags::INFINITE);
+ data::particle_flags::set(p0.getFlagsRef(), data::particle_flags::FIXED);
+
+ // velocity verlet
+ kernel::VelocityVerletWithShapePreForceUpdate vvPreForce( dt );
+ kernel::VelocityVerletWithShapePostForceUpdate vvPostForce( dt );
+
+ // explicit euler
+ kernel::ExplicitEulerWithShape explEuler( dt );
+
+ // collision response
+ collision_detection::AnalyticContactDetection acd;
+ kernel::DoubleCast double_cast;
+ kernel::LinearSpringDashpot dem(1);
+ mpi::ReduceContactHistory rch;
+ dem.setStiffnessN(0,0,stiffnessN);
+ dem.setStiffnessT(0,0,stiffnessT);
+ dem.setDampingN(0,0,dampingN);
+ dem.setDampingT(0,0,dampingT);
+ dem.setFrictionCoefficientStatic(0,0,frictionCoeff_s);
+ dem.setFrictionCoefficientDynamic(0,0,frictionCoeff_d);
+
+ WALBERLA_LOG_DEVEL("begin: vel = " << p.getLinearVelocity() << ", contact vel: " << getVelocityAtWFPoint(0,*accessor,p.getPosition() + Vec3(0,0,-radius)) );
+
+ uint_t steps = 0;
+ real_t maxPenetration = real_t(0);
+ do
+ {
+ if(useVelocityVerlet) vvPreForce(0,*accessor);
+
+ real_t penetration;
+
+ if (double_cast(0, 1, *accessor, acd, *accessor ))
+ {
+ penetration = acd.getPenetrationDepth();
+ maxPenetration = std::max( maxPenetration, std::abs(penetration));
+
+ dem(acd.getIdx1(), acd.getIdx2(), *accessor, acd.getContactPoint(), acd.getContactNormal(), acd.getPenetrationDepth(), dt);
+ //auto force = accessor->getForce(0);
+ //WALBERLA_LOG_INFO(steps << ": penetration = " << penetration << " || vel = " << accessor->getLinearVelocity(0) << " || force = " << force);
+ }
+ rch(*ps);
+
+ if(useVelocityVerlet) vvPostForce(0,*accessor);
+ else explEuler(0, *accessor);
+
+ ++steps;
+ } while (double_cast(0, 1, *accessor, acd, *accessor ) || p.getLinearVelocity()[2] < 0);
+
+ real_t uTout = p.getLinearVelocity()[0] - radius * p.getAngularVelocity()[1];
+ WALBERLA_LOG_DEVEL("end: linear vel = " << p.getLinearVelocity() << ", angular vel = " << p.getAngularVelocity());
+
+ real_t reboundAngle = uTout / uNin;
+ WALBERLA_LOG_INFO_ON_ROOT("gamma_in = " << impactAngle);
+ WALBERLA_LOG_INFO_ON_ROOT("gamma_out = " << reboundAngle);
+
+ WALBERLA_LOG_INFO_ON_ROOT("Thornton: sliding should occur if " << real_t(2) * impactAngle / ( frictionCoeff_d * ( real_t(1) + restitutionCoeff)) << " >= " << real_t(7) - real_t(1) / kappa );
+ WALBERLA_LOG_INFO_ON_ROOT("Max penetration = " << maxPenetration << " -> " << maxPenetration / radius * 100. << "% of radius");
+
+ std::ofstream file;
+ file.open( filename.c_str(), std::ios::out | std::ios::app );
+ file << impactAngle << " " << reboundAngle << "\n";
+ file.close();
+
+ return EXIT_SUCCESS;
+}
+
+} //namespace mesa_pd
+} //namespace walberla
+
+int main( int argc, char ** argv )
+{
+ return walberla::mesa_pd::main(argc, argv);
+}
diff --git a/tests/mesa_pd/kernel/LinkedCellsVsBruteForce.cpp b/tests/mesa_pd/kernel/LinkedCellsVsBruteForce.cpp
new file mode 100644
index 000000000..0340e428b
--- /dev/null
+++ b/tests/mesa_pd/kernel/LinkedCellsVsBruteForce.cpp
@@ -0,0 +1,192 @@
+//======================================================================================================================
+//
+// This file is part of waLBerla. waLBerla is free software: you can
+// redistribute it and/or modify it under the terms of the GNU General Public
+// License as published by the Free Software Foundation, either version 3 of
+// the License, or (at your option) any later version.
+//
+// waLBerla is distributed in the hope that it will be useful, but WITHOUT
+// ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
+// FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License
+// for more details.
+//
+// You should have received a copy of the GNU General Public License along
+// with waLBerla (see COPYING.txt). If not, see <http://www.gnu.org/licenses/>.
+//
+//! \file LinkedCellsVsBruteForce.cpp
+//! \author Sebastian Eibl <sebastian.eibl@fau.de>
+//
+//======================================================================================================================
+
+#include <mesa_pd/collision_detection/AnalyticContactDetection.h>
+#include <mesa_pd/data/LinkedCells.h>
+#include <mesa_pd/data/ParticleAccessor.h>
+#include <mesa_pd/data/ParticleStorage.h>
+#include <mesa_pd/data/ShapeStorage.h>
+#include <mesa_pd/domain/BlockForestDomain.h>
+#include <mesa_pd/kernel/DoubleCast.h>
+#include <mesa_pd/kernel/InsertParticleIntoLinkedCells.h>
+#include <mesa_pd/kernel/ParticleSelector.h>
+#include <mesa_pd/mpi/SyncNextNeighbors.h>
+
+#include <blockforest/BlockForest.h>
+#include <blockforest/Initialization.h>
+#include <core/Environment.h>
+#include <core/grid_generator/SCIterator.h>
+#include <core/logging/Logging.h>
+#include <core/math/Random.h>
+#include <core/mpi/Reduce.h>
+
+#include <algorithm>
+#include <iostream>
+#include <memory>
+#include <numeric>
+
+namespace walberla {
+namespace mesa_pd {
+
+class ParticleAccessorWithShape : public data::ParticleAccessor
+{
+public:
+ ParticleAccessorWithShape(std::shared_ptr<data::ParticleStorage>& ps, std::shared_ptr<data::ShapeStorage>& ss)
+ : ParticleAccessor(ps)
+ , ss_(ss)
+ {}
+
+ const walberla::real_t& getInvMass(const size_t p_idx) const {return ss_->shapes[ps_->getShapeID(p_idx)]->getInvMass();}
+ walberla::real_t& getInvMassRef(const size_t p_idx) {return ss_->shapes[ps_->getShapeID(p_idx)]->getInvMass();}
+ void setInvMass(const size_t p_idx, const walberla::real_t& v) { ss_->shapes[ps_->getShapeID(p_idx)]->getInvMass() = v;}
+
+ const auto& getInvInertiaBF(const size_t p_idx) const {return ss_->shapes[ps_->getShapeID(p_idx)]->getInvInertiaBF();}
+ auto& getInvInertiaBFRef(const size_t p_idx) {return ss_->shapes[ps_->getShapeID(p_idx)]->getInvInertiaBF();}
+ void setInvInertiaBF(const size_t p_idx, const Mat3& v) { ss_->shapes[ps_->getShapeID(p_idx)]->getInvInertiaBF() = v;}
+
+ data::BaseShape* getShape(const size_t p_idx) const {return ss_->shapes[ps_->getShapeID(p_idx)].get();}
+private:
+ std::shared_ptr<data::ShapeStorage> ss_;
+};
+
+class comp
+{
+public:
+ comp(std::vector<collision_detection::AnalyticContactDetection>& cs) : cs_(cs) {}
+ bool operator()(const size_t& c1, const size_t& c2)
+ {
+ if (cs_[c1].getIdx1() == cs_[c2].getIdx1()) return cs_[c1].getIdx2() < cs_[c2].getIdx2();
+ return cs_[c1].getIdx1() < cs_[c2].getIdx1();
+ }
+ std::vector<collision_detection::AnalyticContactDetection>& cs_;
+};
+
+
+int main( int argc, char ** argv )
+{
+ Environment env(argc, argv);
+ WALBERLA_UNUSED(env);
+ walberla::mpi::MPIManager::instance()->useWorldComm();
+
+ math::seedRandomGenerator( numeric_cast<std::mt19937::result_type>( 42 * walberla::mpi::MPIManager::instance()->rank() ) );
+
+ //logging::Logging::instance()->setStreamLogLevel(logging::Logging::DETAIL);
+ //logging::Logging::instance()->includeLoggingToFile("MESA_PD_Kernel_SyncNextNeighbor");
+ //logging::Logging::instance()->setFileLogLevel(logging::Logging::DETAIL);
+
+ //init domain partitioning
+ auto forest = blockforest::createBlockForest( AABB(0,0,0,30,30,30), // simulation domain
+ Vector3<uint_t>(3,3,3), // blocks in each direction
+ Vector3<bool>(true, true, true) // periodicity
+ );
+ domain::BlockForestDomain domain(forest);
+
+ WALBERLA_CHECK_EQUAL(forest->size(), 1);
+ const Block& blk = *static_cast<blockforest::Block*>(&*forest->begin());
+
+ //init data structures
+ auto ps = std::make_shared<data::ParticleStorage>(100);
+ auto ss = std::make_shared<data::ShapeStorage>();
+ data::LinkedCells lc(blk.getAABB(), real_t(1));
+ std::vector<collision_detection::AnalyticContactDetection> cs1(100);
+ std::vector<collision_detection::AnalyticContactDetection> cs2(100);
+
+ ParticleAccessorWithShape accessor(ps, ss);
+
+ //initialize particles
+ const real_t radius = real_t(0.5);
+ auto smallSphere = ss->create<data::Sphere>( radius );
+ ss->shapes[smallSphere]->updateMassAndInertia(real_t(2707));
+
+ for (int i = 0; i < 1000; ++i)
+ {
+ data::Particle&& p = *ps->create();
+ p.getPositionRef() = Vec3( math::realRandom(blk.getAABB().xMin(), blk.getAABB().xMax()),
+ math::realRandom(blk.getAABB().yMin(), blk.getAABB().yMax()),
+ math::realRandom(blk.getAABB().zMin(), blk.getAABB().zMax()) );
+ p.getInteractionRadiusRef() = radius;
+ p.getShapeIDRef() = smallSphere;
+ p.getOwnerRef() = walberla::mpi::MPIManager::instance()->rank();
+ }
+
+ //init kernels
+ kernel::InsertParticleIntoLinkedCells ipilc;
+ mpi::SyncNextNeighbors SNN;
+
+ SNN(*ps, domain);
+
+ lc.clear();
+ ps->forEachParticle(true, kernel::SelectAll(), accessor, ipilc, accessor, lc);
+
+ ps->forEachParticlePairHalf(false,
+ kernel::SelectAll(),
+ accessor,
+ [&cs1](const size_t idx1, const size_t idx2, auto& ac)
+ {
+ collision_detection::AnalyticContactDetection acd;
+ kernel::DoubleCast double_cast;
+ if (double_cast(idx1, idx2, ac, acd, ac ))
+ {
+ cs1.push_back(acd);
+ }
+ },
+ accessor );
+
+ lc.forEachParticlePairHalf(false,
+ kernel::SelectAll(),
+ accessor,
+ [&cs2](const size_t idx1, const size_t idx2, auto& ac)
+ {
+ collision_detection::AnalyticContactDetection acd;
+ kernel::DoubleCast double_cast;
+ if (double_cast(idx1, idx2, ac, acd, ac ))
+ {
+ cs2.push_back(acd);
+ }
+ },
+ accessor );
+
+ WALBERLA_CHECK_EQUAL(cs1.size(), cs2.size());
+ WALBERLA_LOG_DEVEL(cs1.size() << " contacts detected");
+
+ std::vector<size_t> cs1_idx(cs1.size());
+ std::vector<size_t> cs2_idx(cs2.size());
+ std::iota(cs1_idx.begin(), cs1_idx.end(), 0);
+ std::iota(cs2_idx.begin(), cs2_idx.end(), 0);
+ std::sort(cs1_idx.begin(), cs1_idx.end(), comp(cs1));
+ std::sort(cs2_idx.begin(), cs2_idx.end(), comp(cs2));
+
+
+ for (size_t i = 0; i < cs1.size(); ++i)
+ {
+ WALBERLA_CHECK_EQUAL(cs1[cs1_idx[i]].getIdx1(), cs2[cs2_idx[i]].getIdx1());
+ WALBERLA_CHECK_EQUAL(cs1[cs1_idx[i]].getIdx2(), cs2[cs2_idx[i]].getIdx2());
+ }
+
+ return EXIT_SUCCESS;
+}
+
+} //namespace mesa_pd
+} //namespace walberla
+
+int main( int argc, char ** argv )
+{
+ return walberla::mesa_pd::main(argc, argv);
+}
diff --git a/tests/mesa_pd/kernel/SingleCast.cpp b/tests/mesa_pd/kernel/SingleCast.cpp
new file mode 100644
index 000000000..c8ea556da
--- /dev/null
+++ b/tests/mesa_pd/kernel/SingleCast.cpp
@@ -0,0 +1,86 @@
+//======================================================================================================================
+//
+// This file is part of waLBerla. waLBerla is free software: you can
+// redistribute it and/or modify it under the terms of the GNU General Public
+// License as published by the Free Software Foundation, either version 3 of
+// the License, or (at your option) any later version.
+//
+// waLBerla is distributed in the hope that it will be useful, but WITHOUT
+// ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
+// FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License
+// for more details.
+//
+// You should have received a copy of the GNU General Public License along
+// with waLBerla (see COPYING.txt). If not, see <http://www.gnu.org/licenses/>.
+//
+//! \file SingleCast.cpp
+//! \author Sebastian Eibl <sebastian.eibl@fau.de>
+//
+//======================================================================================================================
+
+#include <mesa_pd/data/DataTypes.h>
+
+#include <mesa_pd/kernel/SingleCast.h>
+
+#include <core/Environment.h>
+#include <core/logging/Logging.h>
+
+#include <iostream>
+
+namespace walberla {
+
+using namespace walberla::mesa_pd;
+
+class SingleParticleAccessor : public data::IAccessor
+{
+public:
+ data::BaseShape* getShape(const size_t p_idx)
+ {
+ return p_idx == 0 ?
+ static_cast<data::BaseShape*>(&halfspace_) :
+ static_cast<data::BaseShape*>(&sphere_);
+ }
+
+ data::HalfSpace halfspace_ = data::HalfSpace(Vec3(1,0,0));
+ data::Sphere sphere_ = data::Sphere(real_t(0.5));
+};
+
+class ShapeTester
+{
+public:
+ void operator()(const size_t idx, data::HalfSpace& /*hs*/)
+ {
+ WALBERLA_CHECK_EQUAL(idx, 0);
+ }
+
+ void operator()(const size_t idx, data::Sphere& /*s*/)
+ {
+ WALBERLA_CHECK_EQUAL(idx, 1);
+ }
+};
+
+int main( int argc, char ** argv )
+{
+ Environment env(argc, argv);
+ WALBERLA_UNUSED(env);
+ mpi::MPIManager::instance()->useWorldComm();
+
+ //init data structures
+ SingleParticleAccessor accessor;
+
+ //init kernels
+ kernel::SingleCast singlecast;
+
+ ShapeTester tester;
+ singlecast(0, accessor, tester);
+ singlecast(1, accessor, tester);
+
+ return EXIT_SUCCESS;
+}
+
+} //namespace walberla
+
+int main( int argc, char ** argv )
+{
+ return walberla::main(argc, argv);
+}
diff --git a/tests/mesa_pd/kernel/SpringDashpot.cpp b/tests/mesa_pd/kernel/SpringDashpot.cpp
new file mode 100644
index 000000000..746b9b1fe
--- /dev/null
+++ b/tests/mesa_pd/kernel/SpringDashpot.cpp
@@ -0,0 +1,139 @@
+//======================================================================================================================
+//
+// This file is part of waLBerla. waLBerla is free software: you can
+// redistribute it and/or modify it under the terms of the GNU General Public
+// License as published by the Free Software Foundation, either version 3 of
+// the License, or (at your option) any later version.
+//
+// waLBerla is distributed in the hope that it will be useful, but WITHOUT
+// ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
+// FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License
+// for more details.
+//
+// You should have received a copy of the GNU General Public License along
+// with waLBerla (see COPYING.txt). If not, see <http://www.gnu.org/licenses/>.
+//
+//! \file SpringDashpot.cpp
+//! \author Sebastian Eibl <sebastian.eibl@fau.de>
+//
+//======================================================================================================================
+
+#include <mesa_pd/collision_detection/AnalyticContactDetection.h>
+
+#include <mesa_pd/data/ParticleAccessor.h>
+#include <mesa_pd/data/ParticleStorage.h>
+#include <mesa_pd/data/ShapeStorage.h>
+
+#include <mesa_pd/kernel/DoubleCast.h>
+#include <mesa_pd/kernel/SpringDashpot.h>
+
+#include <core/Environment.h>
+#include <core/logging/Logging.h>
+
+#include <iostream>
+
+namespace walberla {
+
+using namespace walberla::mesa_pd;
+
+class ParticleAccessorWithShape : public data::ParticleAccessor
+{
+public:
+ ParticleAccessorWithShape(std::shared_ptr<data::ParticleStorage>& ps, std::shared_ptr<data::ShapeStorage>& ss)
+ : ParticleAccessor(ps)
+ , ss_(ss)
+ {}
+
+ const walberla::real_t& getInvMass(const size_t p_idx) const {return ss_->shapes[ps_->getShapeID(p_idx)]->getInvMass();}
+ walberla::real_t& getInvMassRef(const size_t p_idx) {return ss_->shapes[ps_->getShapeID(p_idx)]->getInvMass();}
+ void setInvMass(const size_t p_idx, const walberla::real_t& v) { ss_->shapes[ps_->getShapeID(p_idx)]->getInvMass() = v;}
+
+ const auto& getInvInertiaBF(const size_t p_idx) const {return ss_->shapes[ps_->getShapeID(p_idx)]->getInvInertiaBF();}
+ auto& getInvInertiaBFRef(const size_t p_idx) {return ss_->shapes[ps_->getShapeID(p_idx)]->getInvInertiaBF();}
+ void setInvInertiaBF(const size_t p_idx, const Mat3& v) { ss_->shapes[ps_->getShapeID(p_idx)]->getInvInertiaBF() = v;}
+
+ data::BaseShape* getShape(const size_t p_idx) const {return ss_->shapes[ps_->getShapeID(p_idx)].get();}
+private:
+ std::shared_ptr<data::ShapeStorage> ss_;
+};
+
+int main( int argc, char ** argv )
+{
+ Environment env(argc, argv);
+ WALBERLA_UNUSED(env);
+ mpi::MPIManager::instance()->useWorldComm();
+
+ if (std::is_same<real_t, float>::value)
+ {
+ WALBERLA_LOG_WARNING("waLBerla build in sp mode: skipping test due to low precision");
+ return EXIT_SUCCESS;
+ }
+
+ //init data structures
+ auto ps = std::make_shared<data::ParticleStorage>(100);
+ auto ss = std::make_shared<data::ShapeStorage>();
+
+ auto smallSphere = ss->create<data::Sphere>( real_t(2) );
+ ss->shapes[smallSphere]->updateMassAndInertia(real_t(2500));
+
+ ParticleAccessorWithShape ac(ps, ss);
+
+ data::Particle&& p1 = *ps->create();
+ p1.getPositionRef() = Vec3(0,0,0);
+ //p1.getAngularVelocityRef() = Vec3(1,1,-1).getNormalized();
+ p1.getShapeIDRef() = smallSphere;
+ p1.getTypeRef() = 0;
+
+ data::Particle&& p2 = *ps->create();
+ p2.getPositionRef() = Vec3(2,2,2);
+ p2.getShapeIDRef() = smallSphere;
+ p2.getTypeRef() = 0;
+
+ // Init kernels
+ kernel::SpringDashpot sd(1);
+ sd.setStiffness(0, 0, real_t(8.11e6));
+ sd.setDampingN (0, 0, real_t(6.86e1));
+ sd.setDampingT (0, 0, real_t(6.86e1));
+ sd.setFriction (0, 0, real_t(1.2));
+
+ collision_detection::AnalyticContactDetection contact;
+ kernel::DoubleCast double_cast;
+ WALBERLA_CHECK(double_cast(0, 1, ac, contact, ac ));
+
+ // single contact test
+ sd(contact.getIdx1(),
+ contact.getIdx2(),
+ ac,
+ contact.getContactPoint(),
+ contact.getContactNormal(),
+ contact.getPenetrationDepth());
+ std::for_each(ps->begin(), ps->end(), [](data::Particle&& p){ WALBERLA_LOG_DEVEL(p); });
+ WALBERLA_CHECK_FLOAT_EQUAL( ps->getForce(0), -ps->getForce(1) );
+ WALBERLA_CHECK_FLOAT_EQUAL( ps->getForce(0), Vec3(1,1,1).getNormalized() * ((std::sqrt(real_t(12)) - 4) * sd.getStiffness(0, 0)) );
+
+ // thread safety test
+#ifdef _OPENMP
+#pragma omp parallel for schedule(static)
+#endif
+ for (int i = 0; i < 100; ++i)
+ sd(contact.getIdx1(),
+ contact.getIdx2(),
+ ac,
+ contact.getContactPoint(),
+ contact.getContactNormal(),
+ contact.getPenetrationDepth());
+
+ WALBERLA_CHECK_FLOAT_EQUAL( ps->getForce(0), -ps->getForce(1) );
+ WALBERLA_CHECK_FLOAT_EQUAL_EPSILON( ps->getForce(0),
+ real_t(101) * Vec3(1,1,1).getNormalized() * ((std::sqrt(real_t(12)) - 4) * sd.getStiffness(0, 0)),
+ real_t(1e-6) );
+
+ return EXIT_SUCCESS;
+}
+
+} //namespace walberla
+
+int main( int argc, char ** argv )
+{
+ return walberla::main(argc, argv);
+}
diff --git a/tests/mesa_pd/kernel/SyncNextNeighbors.cpp b/tests/mesa_pd/kernel/SyncNextNeighbors.cpp
new file mode 100644
index 000000000..373dffbc3
--- /dev/null
+++ b/tests/mesa_pd/kernel/SyncNextNeighbors.cpp
@@ -0,0 +1,145 @@
+//======================================================================================================================
+//
+// This file is part of waLBerla. waLBerla is free software: you can
+// redistribute it and/or modify it under the terms of the GNU General Public
+// License as published by the Free Software Foundation, either version 3 of
+// the License, or (at your option) any later version.
+//
+// waLBerla is distributed in the hope that it will be useful, but WITHOUT
+// ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
+// FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License
+// for more details.
+//
+// You should have received a copy of the GNU General Public License along
+// with waLBerla (see COPYING.txt). If not, see <http://www.gnu.org/licenses/>.
+//
+//! \file SyncNextNeighbors.cpp
+//! \author Sebastian Eibl <sebastian.eibl@fau.de>
+//
+//======================================================================================================================
+
+#include <mesa_pd/data/ParticleStorage.h>
+#include <mesa_pd/domain/BlockForestDomain.h>
+#include <mesa_pd/mpi/SyncNextNeighbors.h>
+
+#include <blockforest/BlockForest.h>
+#include <blockforest/Initialization.h>
+#include <core/Environment.h>
+#include <core/logging/Logging.h>
+#include <core/mpi/Reduce.h>
+
+#include <iostream>
+#include <memory>
+
+namespace walberla {
+namespace mesa_pd {
+
+const real_t radius = real_t(1);
+
+walberla::id_t createSphere(data::ParticleStorage& ps, domain::IDomain& domain)
+{
+ walberla::id_t uid = 0;
+ auto owned = domain.isContainedInProcessSubdomain( uint_c(walberla::mpi::MPIManager::instance()->rank()), Vec3(0,0,0) );
+ if (owned)
+ {
+ data::Particle&& p = *ps.create();
+ p.getPositionRef() = Vec3(0,0,0);
+ p.getInteractionRadiusRef() = radius;
+ p.getRotationRef() = Rot3(Quat());
+ p.getLinearVelocityRef() = Vec3(1,2,3);
+ p.getAngularVelocityRef() = Vec3(4,5,6);
+ p.getOwnerRef() = walberla::mpi::MPIManager::instance()->rank();
+ uid = p.getUid();
+ }
+
+ walberla::mpi::allReduceInplace(uid, walberla::mpi::SUM);
+ return uid;
+}
+
+int main( int argc, char ** argv )
+{
+ Environment env(argc, argv);
+ WALBERLA_UNUSED(env);
+ walberla::mpi::MPIManager::instance()->useWorldComm();
+
+// logging::Logging::instance()->setStreamLogLevel(logging::Logging::DETAIL);
+// logging::Logging::instance()->includeLoggingToFile("MESA_PD_Kernel_SyncNextNeighbor");
+// logging::Logging::instance()->setFileLogLevel(logging::Logging::DETAIL);
+
+ //init domain partitioning
+ auto forest = blockforest::createBlockForest( AABB(-15,-15,-15,15,15,15), // simulation domain
+ Vector3<uint_t>(3,3,3), // blocks in each direction
+ Vector3<bool>(true, true, true) // periodicity
+ );
+ domain::BlockForestDomain domain(forest);
+ std::array< bool, 3 > periodic;
+ periodic[0] = forest->isPeriodic(0);
+ periodic[1] = forest->isPeriodic(1);
+ periodic[2] = forest->isPeriodic(2);
+
+ //init data structures
+ data::ParticleStorage ps(100);
+
+ //initialize particle
+ auto uid = createSphere(ps, domain);
+ WALBERLA_LOG_DEVEL_ON_ROOT("uid: " << uid);
+
+ //init kernels
+ mpi::SyncNextNeighbors SNN;
+
+ std::vector<real_t> deltas { real_t(0),
+ real_t(4.9),
+ real_t(5.1),
+ real_t(10),
+ real_t(14.9),
+ real_t(-14.9),
+ real_t(-10),
+ real_t(-5.1),
+ real_t(-4.9),
+ real_t(0)};
+
+ for (auto delta : deltas)
+ {
+ auto pos = Vec3(1,-1,1) * delta;
+ WALBERLA_LOG_DETAIL("checking position: " << pos);
+ // owner moves particle to new position
+ auto pIt = ps.find(uid);
+ if (pIt != ps.end())
+ {
+ if (!data::particle_flags::isSet(pIt->getFlags(), data::particle_flags::GHOST))
+ {
+ pIt->setPosition(pos);
+ }
+ }
+
+ //sync
+ SNN(ps, domain);
+
+ //check
+ if (sqDistancePointToAABBPeriodic(pos, forest->begin()->getAABB(), forest->getDomain(), periodic) <= radius * radius)
+ {
+ WALBERLA_CHECK_EQUAL(ps.size(), 1);
+ if (forest->begin()->getAABB().contains(pos))
+ {
+ WALBERLA_CHECK(!data::particle_flags::isSet(ps.begin()->getFlags(), data::particle_flags::GHOST));
+ } else
+ {
+ WALBERLA_CHECK(data::particle_flags::isSet(ps.begin()->getFlags(), data::particle_flags::GHOST));
+ }
+ } else
+ {
+ WALBERLA_CHECK_EQUAL(ps.size(), 0);
+ }
+ }
+
+
+ return EXIT_SUCCESS;
+}
+
+} //namespace mesa_pd
+} //namespace walberla
+
+int main( int argc, char ** argv )
+{
+ return walberla::mesa_pd::main(argc, argv);
+}
diff --git a/tests/mesa_pd/kernel/TemperatureIntegration.cpp b/tests/mesa_pd/kernel/TemperatureIntegration.cpp
new file mode 100644
index 000000000..fefa30cad
--- /dev/null
+++ b/tests/mesa_pd/kernel/TemperatureIntegration.cpp
@@ -0,0 +1,70 @@
+//======================================================================================================================
+//
+// This file is part of waLBerla. waLBerla is free software: you can
+// redistribute it and/or modify it under the terms of the GNU General Public
+// License as published by the Free Software Foundation, either version 3 of
+// the License, or (at your option) any later version.
+//
+// waLBerla is distributed in the hope that it will be useful, but WITHOUT
+// ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
+// FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License
+// for more details.
+//
+// You should have received a copy of the GNU General Public License along
+// with waLBerla (see COPYING.txt). If not, see <http://www.gnu.org/licenses/>.
+//
+//! \file TemperatureIntegration.cpp
+//! \author Sebastian Eibl <sebastian.eibl@fau.de>
+//
+//======================================================================================================================
+
+#include <mesa_pd/data/DataTypes.h>
+#include <mesa_pd/data/ParticleAccessor.h>
+
+#include <mesa_pd/kernel/TemperatureIntegration.h>
+
+#include <core/Environment.h>
+#include <core/logging/Logging.h>
+
+#include <iostream>
+
+namespace walberla {
+
+using namespace walberla::mesa_pd;
+
+int main( int argc, char ** argv )
+{
+ Environment env(argc, argv);
+ WALBERLA_UNUSED(env);
+ mpi::MPIManager::instance()->useWorldComm();
+
+ //init data structures
+ data::SingleParticleAccessor accessor;
+
+ //initialize particle
+ accessor.setType( 0, 0 );
+ accessor.setHeatFlux( 0, real_t(8) );
+ accessor.setTemperature( 0, real_t(5) );
+
+ //init kernels
+ const real_t dt = real_t(1);
+ kernel::TemperatureIntegration integrator( dt, 1 );
+ integrator.setInvHeatCapacity( 0, real_t(2) );
+
+ integrator(0, accessor);
+
+ //check force
+ WALBERLA_CHECK_FLOAT_EQUAL(accessor.getHeatFlux(0) + real_t(1), real_t(1));
+
+ //check velocity
+ WALBERLA_CHECK_FLOAT_EQUAL(accessor.getTemperature(0), real_t(21));
+
+ return EXIT_SUCCESS;
+}
+
+} //namespace walberla
+
+int main( int argc, char ** argv )
+{
+ return walberla::main(argc, argv);
+}
diff --git a/tests/mesa_pd/kernel/VelocityVerlet.cpp b/tests/mesa_pd/kernel/VelocityVerlet.cpp
new file mode 100644
index 000000000..e322d78c1
--- /dev/null
+++ b/tests/mesa_pd/kernel/VelocityVerlet.cpp
@@ -0,0 +1,118 @@
+//======================================================================================================================
+//
+// This file is part of waLBerla. waLBerla is free software: you can
+// redistribute it and/or modify it under the terms of the GNU General Public
+// License as published by the Free Software Foundation, either version 3 of
+// the License, or (at your option) any later version.
+//
+// waLBerla is distributed in the hope that it will be useful, but WITHOUT
+// ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
+// FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License
+// for more details.
+//
+// You should have received a copy of the GNU General Public License along
+// with waLBerla (see COPYING.txt). If not, see <http://www.gnu.org/licenses/>.
+//
+//! \file VelocityVerlet.cpp
+//! \author Sebastian Eibl <sebastian.eibl@fau.de>
+//
+//======================================================================================================================
+
+#include <mesa_pd/data/ParticleAccessor.h>
+#include <mesa_pd/data/ParticleStorage.h>
+
+#include <mesa_pd/kernel/ParticleSelector.h>
+#include <mesa_pd/kernel/VelocityVerlet.h>
+
+#include <core/Environment.h>
+#include <core/logging/Logging.h>
+
+#include <iostream>
+
+namespace walberla {
+
+using namespace walberla::mesa_pd;
+
+int main( int argc, char ** argv )
+{
+ Environment env(argc, argv);
+ WALBERLA_UNUSED(env);
+ mpi::MPIManager::instance()->useWorldComm();
+
+ const real_t k = real_t(0.1);
+
+ //init data structures
+ auto ps = std::make_shared<data::ParticleStorage>(100);
+ data::ParticleAccessor accessor(ps);
+
+ const Vec3 startingVelocity(real_t(1),real_t(2),real_t(3));
+
+ //initialize particle
+ data::Particle&& p = *ps->create();
+ p.getPositionRef() = Vec3(0,0,0);
+ p.getInvMassRef() = real_t(1.1);
+ p.getLinearVelocityRef() = startingVelocity;
+ p.getForceRef() = Vec3(0,0,0);
+ p.getOldForceRef() = Vec3(0,0,0);
+
+ const real_t dt = real_t(0.1);
+ const real_t w = std::sqrt(k*accessor.getInvMass(0));
+ const Vec3 A = accessor.getLinearVelocity(0) / w;
+ WALBERLA_LOG_DEVEL_VAR(w);
+ WALBERLA_LOG_DEVEL_VAR(A);
+
+ auto analyticPosition = [A, w](const real_t t){return A * std::sin(w*t);};
+ auto analyticVelocity = [A, w](const real_t t){return A * std::cos(w*t) * w;};
+
+ //init kernels
+ kernel::VelocityVerletPreForceUpdate preForce( dt );
+ kernel::VelocityVerletPostForceUpdate postForce( dt );
+
+ p.getPositionRef() = analyticPosition(-dt);
+ p.getLinearVelocityRef() = analyticVelocity(-dt);
+ p.getOldForceRef() = - k * p.getPosition();
+ ps->forEachParticle(false, kernel::SelectAll(), accessor, preForce, accessor);
+ p.getLinearVelocityRef() = analyticVelocity(real_t(0));
+ p.getForceRef() = - k * p.getPosition();
+ ps->forEachParticle(false, kernel::SelectAll(), accessor, postForce, accessor);
+
+ WALBERLA_CHECK_FLOAT_EQUAL_EPSILON(p.getPosition(), Vec3(0), real_t(1e-2));
+ WALBERLA_CHECK_FLOAT_EQUAL_EPSILON(p.getLinearVelocity(), startingVelocity, real_t(1e-2));
+
+ for (auto i = 1; i < 500; ++i)
+ {
+ ps->forEachParticle(false, kernel::SelectAll(), accessor, preForce, accessor);
+ p.getForceRef() = - k * p.getPosition();
+ ps->forEachParticle(false, kernel::SelectAll(), accessor, postForce, accessor);
+
+ //check force
+ WALBERLA_CHECK_FLOAT_EQUAL(p.getForce(), Vec3(0), p);
+
+ //check velocity
+ WALBERLA_CHECK_FLOAT_EQUAL_EPSILON(p.getLinearVelocity(),
+ analyticVelocity(real_c(i) * dt),
+ real_t(1e-2),
+ "iteration: " << i << "\n" <<
+ "t: " << real_c(i)*dt << "\n" <<
+ p);
+
+ //check position
+ WALBERLA_CHECK_FLOAT_EQUAL_EPSILON(p.getPosition(),
+ analyticPosition(real_c(i) * dt),
+ real_t(1e-2),
+ "iteration: " << i << "\n" <<
+ "t: " << real_c(i)*dt << "\n" <<
+ p);
+// WALBERLA_LOG_DEVEL_VAR(p.getPosition());
+// WALBERLA_LOG_DEVEL_VAR(analyticPosition(real_c(i) * dt));
+ }
+
+ return EXIT_SUCCESS;
+}
+
+} //namespace walberla
+
+int main( int argc, char ** argv )
+{
+ return walberla::main(argc, argv);
+}
diff --git a/tests/mesa_pd/kernel/VelocityVerletWithShape.cpp b/tests/mesa_pd/kernel/VelocityVerletWithShape.cpp
new file mode 100644
index 000000000..fc3567c1f
--- /dev/null
+++ b/tests/mesa_pd/kernel/VelocityVerletWithShape.cpp
@@ -0,0 +1,201 @@
+//======================================================================================================================
+//
+// This file is part of waLBerla. waLBerla is free software: you can
+// redistribute it and/or modify it under the terms of the GNU General Public
+// License as published by the Free Software Foundation, either version 3 of
+// the License, or (at your option) any later version.
+//
+// waLBerla is distributed in the hope that it will be useful, but WITHOUT
+// ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
+// FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License
+// for more details.
+//
+// You should have received a copy of the GNU General Public License along
+// with waLBerla (see COPYING.txt). If not, see <http://www.gnu.org/licenses/>.
+//
+//! \file VelocityVerletWithShape.cpp
+//! \author Sebastian Eibl <sebastian.eibl@fau.de>
+//
+//======================================================================================================================
+
+#include <mesa_pd/data/ParticleAccessor.h>
+#include <mesa_pd/data/ParticleStorage.h>
+#include <mesa_pd/data/shape/Sphere.h>
+
+#include <mesa_pd/kernel/ParticleSelector.h>
+#include <mesa_pd/kernel/VelocityVerletWithShape.h>
+
+#include <core/Environment.h>
+#include <core/logging/Logging.h>
+
+#include <cmath>
+#include <fstream>
+#include <iostream>
+
+namespace walberla {
+
+using namespace walberla::mesa_pd;
+
+class ParticleAccessorWithShape : public data::ParticleAccessor
+{
+public:
+ ParticleAccessorWithShape(std::shared_ptr<data::ParticleStorage>& ps)
+ : ParticleAccessor(ps)
+ {
+ sp.updateMassAndInertia(real_t(1234));
+ }
+
+ const walberla::real_t& getInvMass(const size_t /*p_idx*/) const {return sp.getInvMass();}
+ walberla::real_t& getInvMassRef(const size_t /*p_idx*/) {return sp.getInvMass();}
+ void setInvMass(const size_t /*p_idx*/, const walberla::real_t& v) { sp.getInvMass() = v;}
+
+ const auto& getInvInertiaBF(const size_t /*p_idx*/) const {return sp.getInvInertiaBF();}
+ auto& getInvInertiaBFRef(const size_t /*p_idx*/) {return sp.getInvInertiaBF();}
+ void setInvInertiaBF(const size_t /*p_idx*/, const Mat3& v) { sp.getInvInertiaBF() = v;}
+
+ data::BaseShape* getShape(const size_t /*p_idx*/) {return &sp;}
+private:
+ data::Sphere sp = data::Sphere(real_t(0.6));
+};
+
+int main()
+{
+ //init data structures
+ auto ps = std::make_shared<data::ParticleStorage>(100);
+ ParticleAccessorWithShape accessor(ps);
+
+ const Vec3 startingVelocity(real_t(1),real_t(2),real_t(3));
+
+ //initialize particle
+ data::Particle&& p = *ps->create();
+ p.getPositionRef() = Vec3(0,0,0);
+ p.getLinearVelocityRef() = startingVelocity;
+ p.getAngularVelocityRef() = startingVelocity;
+ p.getForceRef() = Vec3(0,0,0);
+ p.getOldForceRef() = Vec3(0,0,0);
+
+ const real_t dt = real_t(0.001);
+
+ const real_t k = real_t(10000);
+ const real_t w = std::sqrt(k*accessor.getInvMass(0));
+ const Vec3 A = accessor.getLinearVelocity(0) / w;
+ WALBERLA_LOG_DEVEL_VAR(w);
+ WALBERLA_LOG_DEVEL_VAR(A);
+
+ auto analyticPosition = [A, w](const real_t t){return A * std::sin(w*t);};
+ auto analyticVelocity = [A, w](const real_t t){return A * std::cos(w*t) * w;};
+
+ const real_t kappa = real_t(1000);
+ const real_t omega = std::sqrt(kappa*accessor.getInvInertiaBF(0)[0]);
+ const Vec3 Alpha = accessor.getAngularVelocity(0) / omega;
+ WALBERLA_LOG_DEVEL_VAR(omega);
+ WALBERLA_LOG_DEVEL_VAR(Alpha);
+
+ auto analyticRotation = [Alpha, omega](const real_t t){return Alpha * std::sin(omega*t);};
+ auto analyticAngVel = [Alpha, omega](const real_t t){return Alpha * std::cos(omega*t) * omega;};
+
+ //init kernels
+ kernel::VelocityVerletWithShapePreForceUpdate preForce( dt );
+ kernel::VelocityVerletWithShapePostForceUpdate postForce( dt );
+
+ p.getPositionRef() = analyticPosition(-dt);
+ p.getLinearVelocityRef() = analyticVelocity(-dt);
+ p.getOldForceRef() = - k * p.getPosition();
+
+ p.getRotationRef() = Rot3(Quat(analyticRotation(-dt), analyticRotation(-dt).length()));
+ p.getAngularVelocityRef() = analyticAngVel(-dt);
+ p.getOldTorqueRef() = - kappa * p.getRotation().getQuaternion().getAxis() * p.getRotation().getQuaternion().getAngle();
+
+ ps->forEachParticle(false, kernel::SelectAll(), accessor, preForce, accessor);
+
+ p.getLinearVelocityRef() = analyticVelocity(real_t(0));
+ p.getForceRef() = - k * p.getPosition();
+
+ p.getAngularVelocityRef() = analyticAngVel(real_t(0));
+ p.getTorqueRef() = - kappa * p.getRotation().getQuaternion().getAxis() * p.getRotation().getQuaternion().getAngle();
+ ps->forEachParticle(false, kernel::SelectAll(), accessor, postForce, accessor);
+
+ WALBERLA_CHECK_FLOAT_EQUAL_EPSILON(p.getPosition(), Vec3(0), real_t(1e-2));
+ WALBERLA_CHECK_FLOAT_EQUAL_EPSILON(p.getLinearVelocity(), startingVelocity, real_t(1e-2));
+
+ std::fstream fout("VelocityVerletWithShape.txt", std::ofstream::out);
+ for (auto i = 1; i < 3000; ++i)
+ {
+ ps->forEachParticle(false, kernel::SelectAll(), accessor, preForce, accessor);
+ p.getForceRef() = - k * p.getPosition();
+ p.getTorqueRef() = - kappa * p.getRotation().getQuaternion().getAxis() * p.getRotation().getQuaternion().getAngle();
+ ps->forEachParticle(false, kernel::SelectAll(), accessor, postForce, accessor);
+
+ //check force&torque
+ WALBERLA_CHECK_FLOAT_EQUAL(p.getForce(), Vec3(0), p);
+ WALBERLA_CHECK_FLOAT_EQUAL(p.getTorque(), Vec3(0), p);
+
+ //check velocity
+ WALBERLA_CHECK_FLOAT_EQUAL_EPSILON(p.getLinearVelocity(),
+ analyticVelocity(real_c(i) * dt),
+ real_t(1e-4),
+ "iteration: " << i << "\n" <<
+ "t: " << real_c(i)*dt << "\n" <<
+ p);
+
+ //check angular velocity
+ WALBERLA_CHECK_FLOAT_EQUAL_EPSILON(p.getAngularVelocity(),
+ analyticAngVel(real_c(i) * dt),
+ real_t(1e-4),
+ "iteration: " << i << "\n" <<
+ "t: " << real_c(i)*dt << "\n" <<
+ p);
+ // WALBERLA_LOG_DEVEL_VAR(p.getAngularVelocity());
+ // WALBERLA_LOG_DEVEL_VAR(analyticAngVel(real_c(i) * dt));
+
+ //check position
+ WALBERLA_CHECK_FLOAT_EQUAL_EPSILON(p.getPosition(),
+ analyticPosition(real_c(i) * dt),
+ real_t(1e-4),
+ "iteration: " << i << "\n" <<
+ "t: " << real_c(i)*dt << "\n" <<
+ p);
+
+ //check rotation
+ auto angSol = Rot3(Quat(analyticRotation(real_c(i) * dt), analyticRotation(real_c(i) * dt).length()));
+ WALBERLA_CHECK_FLOAT_EQUAL_EPSILON(p.getRotation().getQuaternion().getAxis() * p.getRotation().getQuaternion().getAngle(),
+ angSol.getQuaternion().getAxis() * angSol.getQuaternion().getAngle(),
+ real_t(1e-4),
+ "iteration: " << i << "\n" <<
+ "t: " << real_c(i)*dt << "\n" <<
+ p);
+ // WALBERLA_LOG_DEVEL_VAR(p.getPosition());
+ // WALBERLA_LOG_DEVEL_VAR(analyticPosition(real_c(i) * dt));
+
+ // WALBERLA_LOG_DEVEL_VAR(/*p.getRotation().getQuaternion().getAxis() * */p.getRotation().getQuaternion().getAngle());
+ // WALBERLA_LOG_DEVEL_VAR(/*angSol.getQuaternion().getAxis() * */angSol.getQuaternion().getAngle());
+ fout << p.getPosition().length() << " " <<
+ analyticPosition(real_c(i) * dt).length() << " " <<
+ p.getLinearVelocity().length() << " " <<
+ analyticVelocity(real_c(i) * dt).length() << " " <<
+ p.getRotation().getQuaternion().getAngle() << " " <<
+ angSol.getQuaternion().getAngle() << " " <<
+ p.getAngularVelocity().length() << " " <<
+ analyticAngVel(real_c(i) * dt).length() << std::endl;
+ }
+ fout.close();
+
+ return EXIT_SUCCESS;
+}
+
+} //namespace walberla
+
+int main( int argc, char ** argv )
+{
+ walberla::Environment env(argc, argv);
+ WALBERLA_UNUSED(env);
+ walberla::mpi::MPIManager::instance()->useWorldComm();
+
+ if (std::is_same<walberla::real_t, float>::value)
+ {
+ WALBERLA_LOG_WARNING("waLBerla build in sp mode: skipping test due to low precision");
+ return EXIT_SUCCESS;
+ }
+
+ return walberla::main();
+}
diff --git a/tests/mesa_pd/kernel/interfaces/ExplicitEulerInterfaceCheck.cpp b/tests/mesa_pd/kernel/interfaces/ExplicitEulerInterfaceCheck.cpp
new file mode 100644
index 000000000..792965081
--- /dev/null
+++ b/tests/mesa_pd/kernel/interfaces/ExplicitEulerInterfaceCheck.cpp
@@ -0,0 +1,75 @@
+//======================================================================================================================
+//
+// This file is part of waLBerla. waLBerla is free software: you can
+// redistribute it and/or modify it under the terms of the GNU General Public
+// License as published by the Free Software Foundation, either version 3 of
+// the License, or (at your option) any later version.
+//
+// waLBerla is distributed in the hope that it will be useful, but WITHOUT
+// ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
+// FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License
+// for more details.
+//
+// You should have received a copy of the GNU General Public License along
+// with waLBerla (see COPYING.txt). If not, see <http://www.gnu.org/licenses/>.
+//
+//! \file ExplicitEulerInterfaceCheck.cpp
+//! \author Sebastian Eibl <sebastian.eibl@fau.de>
+//
+//======================================================================================================================
+
+//======================================================================================================================
+//
+// THIS FILE IS GENERATED - PLEASE CHANGE THE TEMPLATE !!!
+//
+//======================================================================================================================
+
+#include <mesa_pd/data/IAccessor.h>
+#include <mesa_pd/kernel/ExplicitEuler.h>
+
+#include <core/UniqueID.h>
+
+#include <map>
+
+namespace walberla {
+namespace mesa_pd {
+
+class Accessor : public data::IAccessor
+{
+public:
+ virtual ~Accessor() = default;
+ const walberla::mesa_pd::Vec3& getPosition(const size_t /*p_idx*/) const {return position_;}
+ void setPosition(const size_t /*p_idx*/, const walberla::mesa_pd::Vec3& v) { position_ = v;}
+
+ const walberla::mesa_pd::Vec3& getLinearVelocity(const size_t /*p_idx*/) const {return linearVelocity_;}
+ void setLinearVelocity(const size_t /*p_idx*/, const walberla::mesa_pd::Vec3& v) { linearVelocity_ = v;}
+
+ const walberla::real_t& getInvMass(const size_t /*p_idx*/) const {return invMass_;}
+
+ const walberla::mesa_pd::Vec3& getForce(const size_t /*p_idx*/) const {return force_;}
+ void setForce(const size_t /*p_idx*/, const walberla::mesa_pd::Vec3& v) { force_ = v;}
+
+ const walberla::mesa_pd::data::particle_flags::FlagT& getFlags(const size_t /*p_idx*/) const {return flags_;}
+
+
+ id_t getInvalidUid() const {return UniqueID<int>::invalidID();}
+ size_t getInvalidIdx() const {return std::numeric_limits<size_t>::max();}
+ /**
+ * @brief Returns the index of particle specified by uid.
+ * @param uid unique id of the particle to be looked up
+ * @return the index of the particle or std::numeric_limits<size_t>::max() if the particle is not found
+ */
+ size_t uidToIdx(const id_t& /*uid*/) const {return 0;}
+ size_t size() const { return 1; }
+private:
+ walberla::mesa_pd::Vec3 position_;
+ walberla::mesa_pd::Vec3 linearVelocity_;
+ walberla::real_t invMass_;
+ walberla::mesa_pd::Vec3 force_;
+ walberla::mesa_pd::data::particle_flags::FlagT flags_;
+};
+
+template void kernel::ExplicitEuler::operator()(const size_t p_idx1, Accessor& ac) const;
+
+} //namespace mesa_pd
+} //namespace walberla
\ No newline at end of file
diff --git a/tests/mesa_pd/kernel/interfaces/ExplicitEulerWithShapeInterfaceCheck.cpp b/tests/mesa_pd/kernel/interfaces/ExplicitEulerWithShapeInterfaceCheck.cpp
new file mode 100644
index 000000000..3737bd292
--- /dev/null
+++ b/tests/mesa_pd/kernel/interfaces/ExplicitEulerWithShapeInterfaceCheck.cpp
@@ -0,0 +1,90 @@
+//======================================================================================================================
+//
+// This file is part of waLBerla. waLBerla is free software: you can
+// redistribute it and/or modify it under the terms of the GNU General Public
+// License as published by the Free Software Foundation, either version 3 of
+// the License, or (at your option) any later version.
+//
+// waLBerla is distributed in the hope that it will be useful, but WITHOUT
+// ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
+// FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License
+// for more details.
+//
+// You should have received a copy of the GNU General Public License along
+// with waLBerla (see COPYING.txt). If not, see <http://www.gnu.org/licenses/>.
+//
+//! \file ExplicitEulerWithShapeInterfaceCheck.cpp
+//! \author Sebastian Eibl <sebastian.eibl@fau.de>
+//
+//======================================================================================================================
+
+//======================================================================================================================
+//
+// THIS FILE IS GENERATED - PLEASE CHANGE THE TEMPLATE !!!
+//
+//======================================================================================================================
+
+#include <mesa_pd/data/IAccessor.h>
+#include <mesa_pd/kernel/ExplicitEulerWithShape.h>
+
+#include <core/UniqueID.h>
+
+#include <map>
+
+namespace walberla {
+namespace mesa_pd {
+
+class Accessor : public data::IAccessor
+{
+public:
+ virtual ~Accessor() = default;
+ const walberla::mesa_pd::Vec3& getPosition(const size_t /*p_idx*/) const {return position_;}
+ void setPosition(const size_t /*p_idx*/, const walberla::mesa_pd::Vec3& v) { position_ = v;}
+
+ const walberla::mesa_pd::Vec3& getLinearVelocity(const size_t /*p_idx*/) const {return linearVelocity_;}
+ void setLinearVelocity(const size_t /*p_idx*/, const walberla::mesa_pd::Vec3& v) { linearVelocity_ = v;}
+
+ const walberla::real_t& getInvMass(const size_t /*p_idx*/) const {return invMass_;}
+
+ const walberla::mesa_pd::Vec3& getForce(const size_t /*p_idx*/) const {return force_;}
+ void setForce(const size_t /*p_idx*/, const walberla::mesa_pd::Vec3& v) { force_ = v;}
+
+ const walberla::mesa_pd::Rot3& getRotation(const size_t /*p_idx*/) const {return rotation_;}
+ void setRotation(const size_t /*p_idx*/, const walberla::mesa_pd::Rot3& v) { rotation_ = v;}
+
+ const walberla::mesa_pd::Vec3& getAngularVelocity(const size_t /*p_idx*/) const {return angularVelocity_;}
+ void setAngularVelocity(const size_t /*p_idx*/, const walberla::mesa_pd::Vec3& v) { angularVelocity_ = v;}
+
+ const walberla::mesa_pd::Mat3& getInvInertiaBF(const size_t /*p_idx*/) const {return invInertiaBF_;}
+
+ const walberla::mesa_pd::Vec3& getTorque(const size_t /*p_idx*/) const {return torque_;}
+ void setTorque(const size_t /*p_idx*/, const walberla::mesa_pd::Vec3& v) { torque_ = v;}
+
+ const walberla::mesa_pd::data::particle_flags::FlagT& getFlags(const size_t /*p_idx*/) const {return flags_;}
+
+
+ id_t getInvalidUid() const {return UniqueID<int>::invalidID();}
+ size_t getInvalidIdx() const {return std::numeric_limits<size_t>::max();}
+ /**
+ * @brief Returns the index of particle specified by uid.
+ * @param uid unique id of the particle to be looked up
+ * @return the index of the particle or std::numeric_limits<size_t>::max() if the particle is not found
+ */
+ size_t uidToIdx(const id_t& /*uid*/) const {return 0;}
+ size_t size() const { return 1; }
+private:
+ walberla::mesa_pd::Vec3 position_;
+ walberla::mesa_pd::Vec3 linearVelocity_;
+ walberla::real_t invMass_;
+ walberla::mesa_pd::Vec3 force_;
+ walberla::mesa_pd::Rot3 rotation_;
+ walberla::mesa_pd::Vec3 angularVelocity_;
+ walberla::mesa_pd::Mat3 invInertiaBF_;
+ walberla::mesa_pd::Vec3 torque_;
+ walberla::mesa_pd::data::particle_flags::FlagT flags_;
+};
+
+template void kernel::ExplicitEulerWithShape::operator()(const size_t p_idx1, Accessor& ac) const;
+
+} //namespace mesa_pd
+} //namespace walberla
\ No newline at end of file
diff --git a/tests/mesa_pd/kernel/interfaces/ForceLJInterfaceCheck.cpp b/tests/mesa_pd/kernel/interfaces/ForceLJInterfaceCheck.cpp
new file mode 100644
index 000000000..b742e0d22
--- /dev/null
+++ b/tests/mesa_pd/kernel/interfaces/ForceLJInterfaceCheck.cpp
@@ -0,0 +1,66 @@
+//======================================================================================================================
+//
+// This file is part of waLBerla. waLBerla is free software: you can
+// redistribute it and/or modify it under the terms of the GNU General Public
+// License as published by the Free Software Foundation, either version 3 of
+// the License, or (at your option) any later version.
+//
+// waLBerla is distributed in the hope that it will be useful, but WITHOUT
+// ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
+// FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License
+// for more details.
+//
+// You should have received a copy of the GNU General Public License along
+// with waLBerla (see COPYING.txt). If not, see <http://www.gnu.org/licenses/>.
+//
+//! \file ForceLJInterfaceCheck.cpp
+//! \author Sebastian Eibl <sebastian.eibl@fau.de>
+//
+//======================================================================================================================
+
+//======================================================================================================================
+//
+// THIS FILE IS GENERATED - PLEASE CHANGE THE TEMPLATE !!!
+//
+//======================================================================================================================
+
+#include <mesa_pd/data/IAccessor.h>
+#include <mesa_pd/kernel/ForceLJ.h>
+
+#include <core/UniqueID.h>
+
+#include <map>
+
+namespace walberla {
+namespace mesa_pd {
+
+class Accessor : public data::IAccessor
+{
+public:
+ virtual ~Accessor() = default;
+ const walberla::mesa_pd::Vec3& getPosition(const size_t /*p_idx*/) const {return position_;}
+
+ walberla::mesa_pd::Vec3& getForceRef(const size_t /*p_idx*/) {return force_;}
+
+ const uint_t& getType(const size_t /*p_idx*/) const {return type_;}
+
+
+ id_t getInvalidUid() const {return UniqueID<int>::invalidID();}
+ size_t getInvalidIdx() const {return std::numeric_limits<size_t>::max();}
+ /**
+ * @brief Returns the index of particle specified by uid.
+ * @param uid unique id of the particle to be looked up
+ * @return the index of the particle or std::numeric_limits<size_t>::max() if the particle is not found
+ */
+ size_t uidToIdx(const id_t& /*uid*/) const {return 0;}
+ size_t size() const { return 1; }
+private:
+ walberla::mesa_pd::Vec3 position_;
+ walberla::mesa_pd::Vec3 force_;
+ uint_t type_;
+};
+
+template void kernel::ForceLJ::operator()(const size_t p_idx1, const size_t p_idx2, Accessor& ac) const;
+
+} //namespace mesa_pd
+} //namespace walberla
\ No newline at end of file
diff --git a/tests/mesa_pd/kernel/interfaces/HeatConductionInterfaceCheck.cpp b/tests/mesa_pd/kernel/interfaces/HeatConductionInterfaceCheck.cpp
new file mode 100644
index 000000000..4e30eba2e
--- /dev/null
+++ b/tests/mesa_pd/kernel/interfaces/HeatConductionInterfaceCheck.cpp
@@ -0,0 +1,68 @@
+//======================================================================================================================
+//
+// This file is part of waLBerla. waLBerla is free software: you can
+// redistribute it and/or modify it under the terms of the GNU General Public
+// License as published by the Free Software Foundation, either version 3 of
+// the License, or (at your option) any later version.
+//
+// waLBerla is distributed in the hope that it will be useful, but WITHOUT
+// ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
+// FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License
+// for more details.
+//
+// You should have received a copy of the GNU General Public License along
+// with waLBerla (see COPYING.txt). If not, see <http://www.gnu.org/licenses/>.
+//
+//! \file HeatConductionInterfaceCheck.cpp
+//! \author Sebastian Eibl <sebastian.eibl@fau.de>
+//
+//======================================================================================================================
+
+//======================================================================================================================
+//
+// THIS FILE IS GENERATED - PLEASE CHANGE THE TEMPLATE !!!
+//
+//======================================================================================================================
+
+#include <mesa_pd/data/IAccessor.h>
+#include <mesa_pd/kernel/HeatConduction.h>
+
+#include <core/UniqueID.h>
+
+#include <map>
+
+namespace walberla {
+namespace mesa_pd {
+
+class Accessor : public data::IAccessor
+{
+public:
+ virtual ~Accessor() = default;
+ const walberla::real_t& getTemperature(const size_t /*p_idx*/) const {return temperature_;}
+
+ const walberla::real_t& getHeatFlux(const size_t /*p_idx*/) const {return heatFlux_;}
+ void setHeatFlux(const size_t /*p_idx*/, const walberla::real_t& v) { heatFlux_ = v;}
+ walberla::real_t& getHeatFluxRef(const size_t /*p_idx*/) {return heatFlux_;}
+
+ const uint_t& getType(const size_t /*p_idx*/) const {return type_;}
+
+
+ id_t getInvalidUid() const {return UniqueID<int>::invalidID();}
+ size_t getInvalidIdx() const {return std::numeric_limits<size_t>::max();}
+ /**
+ * @brief Returns the index of particle specified by uid.
+ * @param uid unique id of the particle to be looked up
+ * @return the index of the particle or std::numeric_limits<size_t>::max() if the particle is not found
+ */
+ size_t uidToIdx(const id_t& /*uid*/) const {return 0;}
+ size_t size() const { return 1; }
+private:
+ walberla::real_t temperature_;
+ walberla::real_t heatFlux_;
+ uint_t type_;
+};
+
+template void kernel::HeatConduction::operator()(const size_t p_idx1, const size_t p_idx2, Accessor& ac) const;
+
+} //namespace mesa_pd
+} //namespace walberla
\ No newline at end of file
diff --git a/tests/mesa_pd/kernel/interfaces/SpringDashpotInterfaceCheck.cpp b/tests/mesa_pd/kernel/interfaces/SpringDashpotInterfaceCheck.cpp
new file mode 100644
index 000000000..b76620428
--- /dev/null
+++ b/tests/mesa_pd/kernel/interfaces/SpringDashpotInterfaceCheck.cpp
@@ -0,0 +1,79 @@
+//======================================================================================================================
+//
+// This file is part of waLBerla. waLBerla is free software: you can
+// redistribute it and/or modify it under the terms of the GNU General Public
+// License as published by the Free Software Foundation, either version 3 of
+// the License, or (at your option) any later version.
+//
+// waLBerla is distributed in the hope that it will be useful, but WITHOUT
+// ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
+// FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License
+// for more details.
+//
+// You should have received a copy of the GNU General Public License along
+// with waLBerla (see COPYING.txt). If not, see <http://www.gnu.org/licenses/>.
+//
+//! \file SpringDashpotInterfaceCheck.cpp
+//! \author Sebastian Eibl <sebastian.eibl@fau.de>
+//
+//======================================================================================================================
+
+//======================================================================================================================
+//
+// THIS FILE IS GENERATED - PLEASE CHANGE THE TEMPLATE !!!
+//
+//======================================================================================================================
+
+#include <mesa_pd/data/IAccessor.h>
+#include <mesa_pd/kernel/SpringDashpot.h>
+
+#include <core/UniqueID.h>
+
+#include <map>
+
+namespace walberla {
+namespace mesa_pd {
+
+class Accessor : public data::IAccessor
+{
+public:
+ virtual ~Accessor() = default;
+ const walberla::mesa_pd::Vec3& getPosition(const size_t /*p_idx*/) const {return position_;}
+
+ const walberla::mesa_pd::Vec3& getLinearVelocity(const size_t /*p_idx*/) const {return linearVelocity_;}
+
+ walberla::mesa_pd::Vec3& getForceRef(const size_t /*p_idx*/) {return force_;}
+
+ const walberla::mesa_pd::Vec3& getAngularVelocity(const size_t /*p_idx*/) const {return angularVelocity_;}
+
+ walberla::mesa_pd::Vec3& getTorqueRef(const size_t /*p_idx*/) {return torque_;}
+
+ const uint_t& getType(const size_t /*p_idx*/) const {return type_;}
+
+ const std::map<walberla::id_t, walberla::mesa_pd::Vec3>& getContactHistory(const size_t /*p_idx*/) const {return contactHistory_;}
+ void setContactHistory(const size_t /*p_idx*/, const std::map<walberla::id_t, walberla::mesa_pd::Vec3>& v) { contactHistory_ = v;}
+
+
+ id_t getInvalidUid() const {return UniqueID<int>::invalidID();}
+ size_t getInvalidIdx() const {return std::numeric_limits<size_t>::max();}
+ /**
+ * @brief Returns the index of particle specified by uid.
+ * @param uid unique id of the particle to be looked up
+ * @return the index of the particle or std::numeric_limits<size_t>::max() if the particle is not found
+ */
+ size_t uidToIdx(const id_t& /*uid*/) const {return 0;}
+ size_t size() const { return 1; }
+private:
+ walberla::mesa_pd::Vec3 position_;
+ walberla::mesa_pd::Vec3 linearVelocity_;
+ walberla::mesa_pd::Vec3 force_;
+ walberla::mesa_pd::Vec3 angularVelocity_;
+ walberla::mesa_pd::Vec3 torque_;
+ uint_t type_;
+ std::map<walberla::id_t, walberla::mesa_pd::Vec3> contactHistory_;
+};
+
+template void kernel::SpringDashpot::operator()(const size_t p_idx1, const size_t p_idx2, Accessor& ac, const Vec3& contactPoint, const Vec3& contactNormal, const real_t& penetrationDepth) const;
+
+} //namespace mesa_pd
+} //namespace walberla
\ No newline at end of file
diff --git a/tests/mesa_pd/kernel/interfaces/TemperatureIntegrationInterfaceCheck.cpp b/tests/mesa_pd/kernel/interfaces/TemperatureIntegrationInterfaceCheck.cpp
new file mode 100644
index 000000000..e764dffa1
--- /dev/null
+++ b/tests/mesa_pd/kernel/interfaces/TemperatureIntegrationInterfaceCheck.cpp
@@ -0,0 +1,68 @@
+//======================================================================================================================
+//
+// This file is part of waLBerla. waLBerla is free software: you can
+// redistribute it and/or modify it under the terms of the GNU General Public
+// License as published by the Free Software Foundation, either version 3 of
+// the License, or (at your option) any later version.
+//
+// waLBerla is distributed in the hope that it will be useful, but WITHOUT
+// ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
+// FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License
+// for more details.
+//
+// You should have received a copy of the GNU General Public License along
+// with waLBerla (see COPYING.txt). If not, see <http://www.gnu.org/licenses/>.
+//
+//! \file TemperatureIntegrationInterfaceCheck.cpp
+//! \author Sebastian Eibl <sebastian.eibl@fau.de>
+//
+//======================================================================================================================
+
+//======================================================================================================================
+//
+// THIS FILE IS GENERATED - PLEASE CHANGE THE TEMPLATE !!!
+//
+//======================================================================================================================
+
+#include <mesa_pd/data/IAccessor.h>
+#include <mesa_pd/kernel/TemperatureIntegration.h>
+
+#include <core/UniqueID.h>
+
+#include <map>
+
+namespace walberla {
+namespace mesa_pd {
+
+class Accessor : public data::IAccessor
+{
+public:
+ virtual ~Accessor() = default;
+ const walberla::real_t& getTemperature(const size_t /*p_idx*/) const {return temperature_;}
+ void setTemperature(const size_t /*p_idx*/, const walberla::real_t& v) { temperature_ = v;}
+
+ const walberla::real_t& getHeatFlux(const size_t /*p_idx*/) const {return heatFlux_;}
+ void setHeatFlux(const size_t /*p_idx*/, const walberla::real_t& v) { heatFlux_ = v;}
+
+ const uint_t& getType(const size_t /*p_idx*/) const {return type_;}
+
+
+ id_t getInvalidUid() const {return UniqueID<int>::invalidID();}
+ size_t getInvalidIdx() const {return std::numeric_limits<size_t>::max();}
+ /**
+ * @brief Returns the index of particle specified by uid.
+ * @param uid unique id of the particle to be looked up
+ * @return the index of the particle or std::numeric_limits<size_t>::max() if the particle is not found
+ */
+ size_t uidToIdx(const id_t& /*uid*/) const {return 0;}
+ size_t size() const { return 1; }
+private:
+ walberla::real_t temperature_;
+ walberla::real_t heatFlux_;
+ uint_t type_;
+};
+
+template void kernel::TemperatureIntegration::operator()(const size_t p_idx1, Accessor& ac) const;
+
+} //namespace mesa_pd
+} //namespace walberla
\ No newline at end of file
diff --git a/tests/mesa_pd/kernel/interfaces/VelocityVerletInterfaceCheck.cpp b/tests/mesa_pd/kernel/interfaces/VelocityVerletInterfaceCheck.cpp
new file mode 100644
index 000000000..e0cca71cc
--- /dev/null
+++ b/tests/mesa_pd/kernel/interfaces/VelocityVerletInterfaceCheck.cpp
@@ -0,0 +1,80 @@
+//======================================================================================================================
+//
+// This file is part of waLBerla. waLBerla is free software: you can
+// redistribute it and/or modify it under the terms of the GNU General Public
+// License as published by the Free Software Foundation, either version 3 of
+// the License, or (at your option) any later version.
+//
+// waLBerla is distributed in the hope that it will be useful, but WITHOUT
+// ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
+// FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License
+// for more details.
+//
+// You should have received a copy of the GNU General Public License along
+// with waLBerla (see COPYING.txt). If not, see <http://www.gnu.org/licenses/>.
+//
+//! \file VelocityVerletInterfaceCheck.cpp
+//! \author Sebastian Eibl <sebastian.eibl@fau.de>
+//
+//======================================================================================================================
+
+//======================================================================================================================
+//
+// THIS FILE IS GENERATED - PLEASE CHANGE THE TEMPLATE !!!
+//
+//======================================================================================================================
+
+#include <mesa_pd/data/IAccessor.h>
+#include <mesa_pd/kernel/VelocityVerlet.h>
+
+#include <core/UniqueID.h>
+
+#include <map>
+
+namespace walberla {
+namespace mesa_pd {
+
+class Accessor : public data::IAccessor
+{
+public:
+ virtual ~Accessor() = default;
+ const walberla::mesa_pd::Vec3& getPosition(const size_t /*p_idx*/) const {return position_;}
+ void setPosition(const size_t /*p_idx*/, const walberla::mesa_pd::Vec3& v) { position_ = v;}
+
+ const walberla::mesa_pd::Vec3& getLinearVelocity(const size_t /*p_idx*/) const {return linearVelocity_;}
+ void setLinearVelocity(const size_t /*p_idx*/, const walberla::mesa_pd::Vec3& v) { linearVelocity_ = v;}
+
+ const walberla::real_t& getInvMass(const size_t /*p_idx*/) const {return invMass_;}
+
+ const walberla::mesa_pd::Vec3& getForce(const size_t /*p_idx*/) const {return force_;}
+ void setForce(const size_t /*p_idx*/, const walberla::mesa_pd::Vec3& v) { force_ = v;}
+
+ const walberla::mesa_pd::Vec3& getOldForce(const size_t /*p_idx*/) const {return oldForce_;}
+ void setOldForce(const size_t /*p_idx*/, const walberla::mesa_pd::Vec3& v) { oldForce_ = v;}
+
+ const walberla::mesa_pd::data::particle_flags::FlagT& getFlags(const size_t /*p_idx*/) const {return flags_;}
+
+
+ id_t getInvalidUid() const {return UniqueID<int>::invalidID();}
+ size_t getInvalidIdx() const {return std::numeric_limits<size_t>::max();}
+ /**
+ * @brief Returns the index of particle specified by uid.
+ * @param uid unique id of the particle to be looked up
+ * @return the index of the particle or std::numeric_limits<size_t>::max() if the particle is not found
+ */
+ size_t uidToIdx(const id_t& /*uid*/) const {return 0;}
+ size_t size() const { return 1; }
+private:
+ walberla::mesa_pd::Vec3 position_;
+ walberla::mesa_pd::Vec3 linearVelocity_;
+ walberla::real_t invMass_;
+ walberla::mesa_pd::Vec3 force_;
+ walberla::mesa_pd::Vec3 oldForce_;
+ walberla::mesa_pd::data::particle_flags::FlagT flags_;
+};
+
+template void kernel::VelocityVerletPreForceUpdate::operator()(const size_t p_idx1, Accessor& ac) const;
+template void kernel::VelocityVerletPostForceUpdate::operator()(const size_t p_idx1, Accessor& ac) const;
+
+} //namespace mesa_pd
+} //namespace walberla
\ No newline at end of file
diff --git a/tests/mesa_pd/kernel/interfaces/VelocityVerletWithShapeInterfaceCheck.cpp b/tests/mesa_pd/kernel/interfaces/VelocityVerletWithShapeInterfaceCheck.cpp
new file mode 100644
index 000000000..d000cb66e
--- /dev/null
+++ b/tests/mesa_pd/kernel/interfaces/VelocityVerletWithShapeInterfaceCheck.cpp
@@ -0,0 +1,99 @@
+//======================================================================================================================
+//
+// This file is part of waLBerla. waLBerla is free software: you can
+// redistribute it and/or modify it under the terms of the GNU General Public
+// License as published by the Free Software Foundation, either version 3 of
+// the License, or (at your option) any later version.
+//
+// waLBerla is distributed in the hope that it will be useful, but WITHOUT
+// ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
+// FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License
+// for more details.
+//
+// You should have received a copy of the GNU General Public License along
+// with waLBerla (see COPYING.txt). If not, see <http://www.gnu.org/licenses/>.
+//
+//! \file VelocityVerletWithShapeInterfaceCheck.cpp
+//! \author Sebastian Eibl <sebastian.eibl@fau.de>
+//
+//======================================================================================================================
+
+//======================================================================================================================
+//
+// THIS FILE IS GENERATED - PLEASE CHANGE THE TEMPLATE !!!
+//
+//======================================================================================================================
+
+#include <mesa_pd/data/IAccessor.h>
+#include <mesa_pd/kernel/VelocityVerletWithShape.h>
+
+#include <core/UniqueID.h>
+
+#include <map>
+
+namespace walberla {
+namespace mesa_pd {
+
+class Accessor : public data::IAccessor
+{
+public:
+ virtual ~Accessor() = default;
+ const walberla::mesa_pd::Vec3& getPosition(const size_t /*p_idx*/) const {return position_;}
+ void setPosition(const size_t /*p_idx*/, const walberla::mesa_pd::Vec3& v) { position_ = v;}
+
+ const walberla::mesa_pd::Vec3& getLinearVelocity(const size_t /*p_idx*/) const {return linearVelocity_;}
+ void setLinearVelocity(const size_t /*p_idx*/, const walberla::mesa_pd::Vec3& v) { linearVelocity_ = v;}
+
+ const walberla::real_t& getInvMass(const size_t /*p_idx*/) const {return invMass_;}
+
+ const walberla::mesa_pd::Vec3& getForce(const size_t /*p_idx*/) const {return force_;}
+ void setForce(const size_t /*p_idx*/, const walberla::mesa_pd::Vec3& v) { force_ = v;}
+
+ const walberla::mesa_pd::Vec3& getOldForce(const size_t /*p_idx*/) const {return oldForce_;}
+ void setOldForce(const size_t /*p_idx*/, const walberla::mesa_pd::Vec3& v) { oldForce_ = v;}
+
+ const walberla::mesa_pd::Rot3& getRotation(const size_t /*p_idx*/) const {return rotation_;}
+ void setRotation(const size_t /*p_idx*/, const walberla::mesa_pd::Rot3& v) { rotation_ = v;}
+
+ const walberla::mesa_pd::Vec3& getAngularVelocity(const size_t /*p_idx*/) const {return angularVelocity_;}
+ void setAngularVelocity(const size_t /*p_idx*/, const walberla::mesa_pd::Vec3& v) { angularVelocity_ = v;}
+
+ const walberla::mesa_pd::Mat3& getInvInertiaBF(const size_t /*p_idx*/) const {return invInertiaBF_;}
+
+ const walberla::mesa_pd::Vec3& getTorque(const size_t /*p_idx*/) const {return torque_;}
+ void setTorque(const size_t /*p_idx*/, const walberla::mesa_pd::Vec3& v) { torque_ = v;}
+
+ const walberla::mesa_pd::Vec3& getOldTorque(const size_t /*p_idx*/) const {return oldTorque_;}
+ void setOldTorque(const size_t /*p_idx*/, const walberla::mesa_pd::Vec3& v) { oldTorque_ = v;}
+
+ const walberla::mesa_pd::data::particle_flags::FlagT& getFlags(const size_t /*p_idx*/) const {return flags_;}
+
+
+ id_t getInvalidUid() const {return UniqueID<int>::invalidID();}
+ size_t getInvalidIdx() const {return std::numeric_limits<size_t>::max();}
+ /**
+ * @brief Returns the index of particle specified by uid.
+ * @param uid unique id of the particle to be looked up
+ * @return the index of the particle or std::numeric_limits<size_t>::max() if the particle is not found
+ */
+ size_t uidToIdx(const id_t& /*uid*/) const {return 0;}
+ size_t size() const { return 1; }
+private:
+ walberla::mesa_pd::Vec3 position_;
+ walberla::mesa_pd::Vec3 linearVelocity_;
+ walberla::real_t invMass_;
+ walberla::mesa_pd::Vec3 force_;
+ walberla::mesa_pd::Vec3 oldForce_;
+ walberla::mesa_pd::Rot3 rotation_;
+ walberla::mesa_pd::Vec3 angularVelocity_;
+ walberla::mesa_pd::Mat3 invInertiaBF_;
+ walberla::mesa_pd::Vec3 torque_;
+ walberla::mesa_pd::Vec3 oldTorque_;
+ walberla::mesa_pd::data::particle_flags::FlagT flags_;
+};
+
+template void kernel::VelocityVerletWithShapePreForceUpdate::operator()(const size_t p_idx1, Accessor& ac) const;
+template void kernel::VelocityVerletWithShapePostForceUpdate::operator()(const size_t p_idx1, Accessor& ac) const;
+
+} //namespace mesa_pd
+} //namespace walberla
\ No newline at end of file
diff --git a/tests/mesa_pd/mpi/BroadcastProperty.cpp b/tests/mesa_pd/mpi/BroadcastProperty.cpp
new file mode 100644
index 000000000..de7a0a2d7
--- /dev/null
+++ b/tests/mesa_pd/mpi/BroadcastProperty.cpp
@@ -0,0 +1,110 @@
+//======================================================================================================================
+//
+// This file is part of waLBerla. waLBerla is free software: you can
+// redistribute it and/or modify it under the terms of the GNU General Public
+// License as published by the Free Software Foundation, either version 3 of
+// the License, or (at your option) any later version.
+//
+// waLBerla is distributed in the hope that it will be useful, but WITHOUT
+// ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
+// FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License
+// for more details.
+//
+// You should have received a copy of the GNU General Public License along
+// with waLBerla (see COPYING.txt). If not, see <http://www.gnu.org/licenses/>.
+//
+//! \file BroadcastProperty.cpp
+//! \author Sebastian Eibl <sebastian.eibl@fau.de>
+//
+//======================================================================================================================
+
+#include <mesa_pd/data/ParticleStorage.h>
+#include <mesa_pd/domain/BlockForestDomain.h>
+#include <mesa_pd/mpi/BroadcastProperty.h>
+#include <mesa_pd/mpi/notifications/ForceTorqueNotification.h>
+#include <mesa_pd/mpi/SyncNextNeighbors.h>
+
+#include <blockforest/BlockForest.h>
+#include <blockforest/Initialization.h>
+#include <core/Environment.h>
+#include <core/logging/Logging.h>
+#include <core/mpi/Reduce.h>
+
+#include <iostream>
+#include <memory>
+
+namespace walberla {
+namespace mesa_pd {
+
+const real_t radius = real_t(3);
+
+walberla::id_t createSphere(data::ParticleStorage& ps, domain::IDomain& domain)
+{
+ walberla::id_t uid = 0;
+ auto owned = domain.isContainedInProcessSubdomain( uint_c(walberla::mpi::MPIManager::instance()->rank()), Vec3(9,9,9) );
+ if (owned)
+ {
+ data::Particle&& p = *ps.create();
+ p.getPositionRef() = Vec3(9,9,9);
+ p.getInteractionRadiusRef() = radius;
+ p.getOwnerRef() = walberla::mpi::MPIManager::instance()->rank();
+ p.setForce( Vec3(1) );
+ p.setTorque( Vec3(1) );
+ uid = p.getUid();
+ }
+
+ walberla::mpi::allReduceInplace(uid, walberla::mpi::SUM);
+ return uid;
+}
+
+void main( int argc, char ** argv )
+{
+ Environment env(argc, argv);
+ WALBERLA_UNUSED(env);
+ walberla::mpi::MPIManager::instance()->useWorldComm();
+
+ //init domain partitioning
+ auto forest = blockforest::createBlockForest( AABB(0,0,0,20,20,20), // simulation domain
+ Vector3<uint_t>(2,2,2), // blocks in each direction
+ Vector3<bool>(false, false, false) // periodicity
+ );
+ domain::BlockForestDomain domain(forest);
+
+ //init data structures
+ data::ParticleStorage ps(100);
+
+ //initialize particle
+ auto uid = createSphere(ps, domain);
+ WALBERLA_LOG_DEVEL_ON_ROOT("uid: " << uid);
+
+ //init kernels
+ mpi::BroadcastProperty BP;
+ mpi::SyncNextNeighbors SNN;
+
+ //sync
+ SNN(ps, domain);
+
+ auto pIt = ps.find(uid);
+ if (pIt != ps.end())
+ {
+ if (!data::particle_flags::isSet( pIt->getFlags(), data::particle_flags::GHOST))
+ {
+ pIt->setForce( Vec3(real_c(42)) );
+ pIt->setTorque( Vec3(real_c(43)) );
+ }
+ }
+
+ BP.operator()<ForceTorqueNotification>(ps);
+
+ WALBERLA_CHECK_FLOAT_EQUAL( pIt->getForce(), Vec3(real_c(42)) );
+ WALBERLA_CHECK_FLOAT_EQUAL( pIt->getTorque(), Vec3(real_c(43)) );
+}
+
+} //namespace mesa_pd
+} //namespace walberla
+
+int main( int argc, char ** argv )
+{
+ walberla::mesa_pd::main(argc, argv);
+ return EXIT_SUCCESS;
+}
diff --git a/tests/mesa_pd/mpi/Notifications.cpp b/tests/mesa_pd/mpi/Notifications.cpp
new file mode 100644
index 000000000..e6eeacca6
--- /dev/null
+++ b/tests/mesa_pd/mpi/Notifications.cpp
@@ -0,0 +1,68 @@
+//======================================================================================================================
+//
+// This file is part of waLBerla. waLBerla is free software: you can
+// redistribute it and/or modify it under the terms of the GNU General Public
+// License as published by the Free Software Foundation, either version 3 of
+// the License, or (at your option) any later version.
+//
+// waLBerla is distributed in the hope that it will be useful, but WITHOUT
+// ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
+// FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License
+// for more details.
+//
+// You should have received a copy of the GNU General Public License along
+// with waLBerla (see COPYING.txt). If not, see <http://www.gnu.org/licenses/>.
+//
+//! \file Notifications.cpp
+//! \author Sebastian Eibl <sebastian.eibl@fau.de>
+//
+//======================================================================================================================
+
+#include <mesa_pd/data/ParticleStorage.h>
+#include <mesa_pd/data/ShapeStorage.h>
+
+#include <core/Environment.h>
+#include <core/logging/Logging.h>
+
+#include <iostream>
+
+namespace walberla {
+
+using namespace walberla::mesa_pd;
+
+int main( int argc, char ** argv )
+{
+ Environment env(argc, argv);
+ WALBERLA_UNUSED(env);
+ mpi::MPIManager::instance()->useWorldComm();
+
+ //init data structures
+ data::ParticleStorage ps(100);
+
+ //initialize particle
+ const auto linVel = Vec3(1,2,3);
+ const auto angVel = Vec3(1,2,3);
+
+ const auto force = Vec3(1,2,3);
+ const auto torque = Vec3(1,2,3);
+
+ data::Particle&& p = *ps.create();
+ p.getPositionRef() = Vec3(0,0,0);
+ p.getRotationRef() = Rot3(Quat());
+ p.getLinearVelocityRef() = linVel;
+ p.getAngularVelocityRef() = angVel;
+ p.getForceRef() = force;
+ p.getTorqueRef() = torque;
+
+ //init kernels
+ WALBERLA_LOG_DEVEL(p);
+
+ return EXIT_SUCCESS;
+}
+
+} //namespace walberla
+
+int main( int argc, char ** argv )
+{
+ return walberla::main(argc, argv);
+}
diff --git a/tests/mesa_pd/mpi/ReduceContactHistory.cpp b/tests/mesa_pd/mpi/ReduceContactHistory.cpp
new file mode 100644
index 000000000..1135e1d93
--- /dev/null
+++ b/tests/mesa_pd/mpi/ReduceContactHistory.cpp
@@ -0,0 +1,182 @@
+//======================================================================================================================
+//
+// This file is part of waLBerla. waLBerla is free software: you can
+// redistribute it and/or modify it under the terms of the GNU General Public
+// License as published by the Free Software Foundation, either version 3 of
+// the License, or (at your option) any later version.
+//
+// waLBerla is distributed in the hope that it will be useful, but WITHOUT
+// ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
+// FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License
+// for more details.
+//
+// You should have received a copy of the GNU General Public License along
+// with waLBerla (see COPYING.txt). If not, see <http://www.gnu.org/licenses/>.
+//
+//! \file ReduceContactHistory.cpp
+//! \author Sebastian Eibl <sebastian.eibl@fau.de>
+//
+//======================================================================================================================
+
+#include <mesa_pd/collision_detection/AnalyticContactDetection.h>
+#include <mesa_pd/data/ParticleAccessor.h>
+#include <mesa_pd/data/ParticleStorage.h>
+#include <mesa_pd/data/ShapeStorage.h>
+#include <mesa_pd/domain/BlockForestDomain.h>
+#include <mesa_pd/kernel/DoubleCast.h>
+#include <mesa_pd/kernel/InsertParticleIntoLinkedCells.h>
+#include <mesa_pd/kernel/ParticleSelector.h>
+#include <mesa_pd/mpi/ContactFilter.h>
+#include <mesa_pd/mpi/ReduceContactHistory.h>
+#include <mesa_pd/mpi/ReduceProperty.h>
+#include <mesa_pd/mpi/SyncNextNeighbors.h>
+
+#include <mesa_pd/mpi/notifications/ContactHistoryNotification.h>
+
+#include <blockforest/BlockForest.h>
+#include <blockforest/Initialization.h>
+#include <core/Environment.h>
+#include <core/grid_generator/SCIterator.h>
+#include <core/logging/Logging.h>
+
+#include <iostream>
+
+namespace walberla {
+namespace mesa_pd {
+
+const real_t radius = real_t(0.7);
+const real_t spacing = real_t(1.0);
+
+class ParticleAccessorWithShape : public data::ParticleAccessor
+{
+public:
+ ParticleAccessorWithShape(std::shared_ptr<data::ParticleStorage>& ps)
+ : ParticleAccessor(ps)
+ {}
+
+ data::BaseShape* getShape(const size_t /*p_idx*/) {return &sp;}
+private:
+ data::Sphere sp = data::Sphere(radius);
+};
+
+class IncreaseContactHistory
+{
+public:
+ IncreaseContactHistory() = default;
+
+ template <typename Accessor>
+ void operator()(const size_t p_idx1,
+ const size_t p_idx2,
+ Accessor& ac,
+ const Vec3& /*contactPoint*/,
+ const Vec3& /*contactNormal*/,
+ const real_t& /*penetrationDepth*/) const
+ {
+ auto& oldCH1 = ac.getOldContactHistoryRef(p_idx1)[ac.getUid(p_idx2)];
+ auto& oldCH2 = ac.getOldContactHistoryRef(p_idx2)[ac.getUid(p_idx1)];
+ auto& newCH1 = ac.getNewContactHistoryRef(p_idx1)[ac.getUid(p_idx2)];
+ auto& newCH2 = ac.getNewContactHistoryRef(p_idx2)[ac.getUid(p_idx1)];
+ newCH1.setTangentialSpringDisplacement(oldCH1.getTangentialSpringDisplacement() + Vec3(ac.getUid(p_idx2)));
+ newCH2.setTangentialSpringDisplacement(oldCH2.getTangentialSpringDisplacement() + Vec3(ac.getUid(p_idx1)));
+ }
+
+};
+
+void createSphere(data::ParticleStorage& ps, domain::IDomain& domain, const Vec3& pos)
+{
+ static uint64_t uid = 0;
+
+ auto owned = domain.isContainedInProcessSubdomain( uint_c(walberla::mpi::MPIManager::instance()->rank()), pos );
+ if (owned)
+ {
+ data::Particle&& p = *ps.create(uid); // DO NOT DO THIS IF YOU DONT KNOW WHAT YOU ARE DOING
+ p.getPositionRef() = pos;
+ p.getInteractionRadiusRef() = radius;
+ p.getOwnerRef() = walberla::mpi::MPIManager::instance()->rank();
+ p.getTypeRef() = 0;
+ }
+ ++uid;
+}
+
+int main( int argc, char ** argv )
+{
+ Environment env(argc, argv);
+ WALBERLA_UNUSED(env);
+ walberla::mpi::MPIManager::instance()->useWorldComm();
+
+ //init domain partitioning
+ auto forest = blockforest::createBlockForest( AABB(0,0,0,4,4,4), // simulation domain
+ Vector3<uint_t>(2,2,2), // blocks in each direction
+ Vector3<bool>(true, true, true) // periodicity
+ );
+ domain::BlockForestDomain domain(forest);
+
+ //init data structures
+ auto ps = std::make_shared<data::ParticleStorage>(100);
+ ParticleAccessorWithShape accessor(ps);
+
+ for (auto pt : grid_generator::SCGrid(forest->getDomain(), Vector3<real_t>(spacing, spacing, spacing) * real_c(0.4), spacing))
+ {
+ createSphere(*ps, domain, pt);
+ }
+
+ IncreaseContactHistory INC;
+ mpi::ReduceContactHistory ReduceContactHistory;
+ mpi::ReduceProperty RP;
+ mpi::SyncNextNeighbors SNN;
+
+ SNN(*ps, domain);
+
+ const int simulationSteps = 10;
+ for (int i=0; i < simulationSteps; ++i)
+ {
+ //if (i % visSpacing == 0)
+ //{
+ // vtkWriter->write();
+ //}
+
+
+ ps->forEachParticlePairHalf(true,
+ kernel::SelectAll(),
+ accessor,
+ [&](const size_t idx1, const size_t idx2, auto& ac)
+ {
+ collision_detection::AnalyticContactDetection acd;
+ kernel::DoubleCast double_cast;
+ const mpi::ContactFilter contact_filter;
+ if (double_cast(idx1, idx2, ac, acd, ac ))
+ {
+ if (contact_filter(acd.getIdx1(), acd.getIdx2(), ac, acd.getContactPoint(), domain))
+ {
+ INC(acd.getIdx1(), acd.getIdx2(), ac, acd.getContactPoint(), acd.getContactNormal(), acd.getPenetrationDepth());
+ }
+ }
+ },
+ accessor );
+
+ ReduceContactHistory(*ps);
+
+ SNN(*ps, domain);
+ }
+
+
+ for (data::Particle&& p : *ps)
+ {
+ WALBERLA_CHECK_EQUAL(p.getOldContactHistory().size(), 6, p);
+ WALBERLA_CHECK_EQUAL(p.getNewContactHistory().size(), 0, p);
+ for (auto& entry : p.getOldContactHistoryRef())
+ {
+ WALBERLA_CHECK_EQUAL(entry.second.getTangentialSpringDisplacement(), Vec3(real_c(entry.first * simulationSteps)), p);
+ }
+ }
+
+ return EXIT_SUCCESS;
+}
+
+} //namespace mesa_pd
+} //namespace walberla
+
+int main( int argc, char ** argv )
+{
+ return walberla::mesa_pd::main(argc, argv);
+}
diff --git a/tests/mesa_pd/mpi/ReduceProperty.cpp b/tests/mesa_pd/mpi/ReduceProperty.cpp
new file mode 100644
index 000000000..300fc5dc1
--- /dev/null
+++ b/tests/mesa_pd/mpi/ReduceProperty.cpp
@@ -0,0 +1,109 @@
+//======================================================================================================================
+//
+// This file is part of waLBerla. waLBerla is free software: you can
+// redistribute it and/or modify it under the terms of the GNU General Public
+// License as published by the Free Software Foundation, either version 3 of
+// the License, or (at your option) any later version.
+//
+// waLBerla is distributed in the hope that it will be useful, but WITHOUT
+// ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
+// FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License
+// for more details.
+//
+// You should have received a copy of the GNU General Public License along
+// with waLBerla (see COPYING.txt). If not, see <http://www.gnu.org/licenses/>.
+//
+//! \file ReduceProperty.cpp
+//! \author Sebastian Eibl <sebastian.eibl@fau.de>
+//
+//======================================================================================================================
+
+#include <mesa_pd/data/ParticleStorage.h>
+#include <mesa_pd/domain/BlockForestDomain.h>
+#include <mesa_pd/mpi/notifications/ForceTorqueNotification.h>
+#include <mesa_pd/mpi/ReduceProperty.h>
+#include <mesa_pd/mpi/SyncNextNeighbors.h>
+
+#include <blockforest/BlockForest.h>
+#include <blockforest/Initialization.h>
+#include <core/Environment.h>
+#include <core/logging/Logging.h>
+#include <core/mpi/Reduce.h>
+
+#include <iostream>
+#include <memory>
+
+namespace walberla {
+namespace mesa_pd {
+
+const real_t radius = real_t(3);
+
+walberla::id_t createSphere(data::ParticleStorage& ps, domain::IDomain& domain)
+{
+ walberla::id_t uid = 0;
+ auto owned = domain.isContainedInProcessSubdomain( uint_c(walberla::mpi::MPIManager::instance()->rank()), Vec3(9,9,9) );
+ if (owned)
+ {
+ data::Particle&& p = *ps.create();
+ p.getPositionRef() = Vec3(9,9,9);
+ p.getInteractionRadiusRef() = radius;
+ p.getOwnerRef() = walberla::mpi::MPIManager::instance()->rank();
+ uid = p.getUid();
+ }
+
+ walberla::mpi::allReduceInplace(uid, walberla::mpi::SUM);
+ return uid;
+}
+
+void main( int argc, char ** argv )
+{
+ Environment env(argc, argv);
+ WALBERLA_UNUSED(env);
+ walberla::mpi::MPIManager::instance()->useWorldComm();
+
+ //init domain partitioning
+ auto forest = blockforest::createBlockForest( AABB(0,0,0,20,20,20), // simulation domain
+ Vector3<uint_t>(2,2,2), // blocks in each direction
+ Vector3<bool>(false, false, false) // periodicity
+ );
+ domain::BlockForestDomain domain(forest);
+
+ //init data structures
+ data::ParticleStorage ps(100);
+
+ //initialize particle
+ auto uid = createSphere(ps, domain);
+ WALBERLA_LOG_DEVEL_ON_ROOT("uid: " << uid);
+
+ //init kernels
+ mpi::ReduceProperty RP;
+ mpi::SyncNextNeighbors SNN;
+
+ //sync
+ SNN(ps, domain);
+
+ auto pIt = ps.find(uid);
+ if (pIt != ps.end())
+ {
+ pIt->getForceRef() += Vec3(real_c(walberla::mpi::MPIManager::instance()->rank()));
+ }
+
+ RP.operator()<ForceTorqueNotification>(ps);
+
+ if (walberla::mpi::MPIManager::instance()->rank() == 0)
+ {
+ WALBERLA_CHECK_FLOAT_EQUAL( pIt->getForce(), Vec3(real_t(28)) );
+ } else
+ {
+ WALBERLA_CHECK_FLOAT_EQUAL( pIt->getForce(), Vec3(real_t(walberla::mpi::MPIManager::instance()->rank())) );
+ }
+}
+
+} //namespace mesa_pd
+} //namespace walberla
+
+int main( int argc, char ** argv )
+{
+ walberla::mesa_pd::main(argc, argv);
+ return EXIT_SUCCESS;
+}
diff --git a/tests/mesa_pd/vtk/VTKOutputs.cpp b/tests/mesa_pd/vtk/VTKOutputs.cpp
new file mode 100644
index 000000000..7cd96b260
--- /dev/null
+++ b/tests/mesa_pd/vtk/VTKOutputs.cpp
@@ -0,0 +1,86 @@
+//======================================================================================================================
+//
+// This file is part of waLBerla. waLBerla is free software: you can
+// redistribute it and/or modify it under the terms of the GNU General Public
+// License as published by the Free Software Foundation, either version 3 of
+// the License, or (at your option) any later version.
+//
+// waLBerla is distributed in the hope that it will be useful, but WITHOUT
+// ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
+// FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License
+// for more details.
+//
+// You should have received a copy of the GNU General Public License along
+// with waLBerla (see COPYING.txt). If not, see <http://www.gnu.org/licenses/>.
+//
+//! \file VTKOutputs.cpp
+//! \author Sebastian Eibl <sebastian.eibl@fau.de>
+//
+//======================================================================================================================
+
+#include <mesa_pd/vtk/ParticleVtkOutput.h>
+
+#include <mesa_pd/data/ParticleStorage.h>
+
+#include <blockforest/Initialization.h>
+#include <core/Environment.h>
+#include <core/grid_generator/SCIterator.h>
+#include <core/logging/Logging.h>
+#include <core/math/Random.h>
+#include <vtk/VTKOutput.h>
+
+#include <iostream>
+
+namespace walberla {
+
+using namespace walberla::mesa_pd;
+
+int main( int argc, char ** argv )
+{
+ Environment env(argc, argv);
+ WALBERLA_UNUSED(env);
+ mpi::MPIManager::instance()->useWorldComm();
+ WALBERLA_CHECK_EQUAL(mpi::MPIManager::instance()->numProcesses(), 8, "please run with 8 processes");
+
+ //init data structures
+ auto ps = std::make_shared<data::ParticleStorage> (100);
+
+ const math::AABB domain(real_t(0), real_t(0), real_t(0), real_t(4), real_t(4), real_t(4));
+ auto forest = blockforest::createBlockForest( domain,
+ Vector3<uint_t>(2,2,2),
+ Vector3<bool>(false, false, false) );
+
+ //initialize particles
+ const Vec3 shift(real_t(0.5), real_t(0.5), real_t(0.5));
+ for (auto& iBlk : *forest)
+ {
+ for (auto pt : grid_generator::SCGrid(iBlk.getAABB(), shift, real_t(1)))
+ {
+ WALBERLA_CHECK(iBlk.getAABB().contains(pt));
+
+ auto p = ps->create();
+ p->setPosition( pt );
+ p->setOwner( mpi::MPIManager::instance()->rank() );
+ }
+ }
+
+ auto vtkOutput = make_shared<mesa_pd::vtk::ParticleVtkOutput>(ps);
+ vtkOutput->addOutput<data::SelectParticleOwner>("owner");
+ vtkOutput->addOutput<data::SelectParticleLinearVelocity>("velocity");
+ auto rank = mpi::MPIManager::instance()->rank();
+ vtkOutput->setParticleSelector( [rank](const data::ParticleStorage::iterator& pIt) {return pIt->getIdx() < uint_c(rank);} );
+ auto vtkWriter = walberla::vtk::createVTKOutput_PointData(vtkOutput, "Bodies", 1, "vtk", "simulation_step", false, false);
+
+ vtkWriter->write();
+
+ WALBERLA_CHECK_EQUAL(vtkOutput->getParticlesWritten(), rank);
+
+ return EXIT_SUCCESS;
+}
+
+} //namespace walberla
+
+int main( int argc, char ** argv )
+{
+ return walberla::main(argc, argv);
+}
--
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