Merge pull request #1983 from wkdarko/mpcd-reverse-perturbation

MPCD reverse nonequilibrium shear flow
glotzerlab · Jan 21, 2025 · 937bfbd · 937bfbd
2 parents 665633e + f7b6f97
commit 937bfbd
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Showing 18 changed files with 1,599 additions and 3 deletions.
diff --git a/CHANGELOG.rst b/CHANGELOG.rst
@@ -4,6 +4,14 @@ Change Log
 5.x
 ---
 
+5.1.0 (not yet released)
+^^^^^^^^^^^^^^^^^^^^^^^^
+
+*Added*
+
+* ``mpcd.update.ReverseNonequilibriumShearFlow``
+  (`#1983 <https://github.com/glotzerlab/hoomd-blue/pull/1983>`__).
+
 5.0.1 (2025-01-20)
 ^^^^^^^^^^^^^^^^^^
 
@@ -17,6 +25,7 @@ Change Log
   (`#1986 <https://github.com/glotzerlab/hoomd-blue/pull/1986>`__).
 
 
+
 5.0.0 (2024-12-02)
 ^^^^^^^^^^^^^^^^^^
 

diff --git a/hoomd/mpcd/CMakeLists.txt b/hoomd/mpcd/CMakeLists.txt
@@ -15,6 +15,7 @@ set(_mpcd_cc_sources
     ManualVirtualParticleFiller.cc
     ParallelPlateGeometryFiller.cc
     PlanarPoreGeometryFiller.cc
+    ReverseNonequilibriumShearFlow.cc
     Sorter.cc
     SRDCollisionMethod.cc
     StreamingMethod.cc
@@ -41,6 +42,8 @@ set(_mpcd_headers
     ParallelPlateGeometryFiller.h
     PlanarPoreGeometryFiller.h
     RejectionVirtualParticleFiller.h
+    ReverseNonequilibriumShearFlow.h
+    ReverseNonequilibriumShearFlowUtilities.h
     Sorter.h
     SRDCollisionMethod.h
     StreamingMethod.h
@@ -73,6 +76,7 @@ if(ENABLE_HIP)
         CommunicatorGPU.cc
         ParallelPlateGeometryFillerGPU.cc
         PlanarPoreGeometryFillerGPU.cc
+        ReverseNonequilibriumShearFlowGPU.cc
         SorterGPU.cc
         SRDCollisionMethodGPU.cc
         )
@@ -81,6 +85,8 @@ if(ENABLE_HIP)
         ATCollisionMethodGPU.h
         BounceBackNVEGPU.cuh
         BounceBackNVEGPU.h
+        BounceBackStreamingMethodGPU.cuh
+        BounceBackStreamingMethodGPU.h
         BulkStreamingMethodGPU.h
         CellCommunicator.cuh
         CellThermoComputeGPU.cuh
@@ -89,15 +95,15 @@ if(ENABLE_HIP)
         CellListGPU.h
         CommunicatorGPU.cuh
         CommunicatorGPU.h
-        BounceBackStreamingMethodGPU.cuh
-        BounceBackStreamingMethodGPU.h
-        ParticleData.cuh
         ParallelPlateGeometryFillerGPU.cuh
         ParallelPlateGeometryFillerGPU.h
+        ParticleData.cuh
         PlanarPoreGeometryFillerGPU.cuh
         PlanarPoreGeometryFillerGPU.h
         RejectionVirtualParticleFillerGPU.cuh
         RejectionVirtualParticleFillerGPU.h
+        ReverseNonequilibriumShearFlowGPU.cuh
+        ReverseNonequilibriumShearFlowGPU.h
         SorterGPU.cuh
         SorterGPU.h
         SRDCollisionMethodGPU.cuh
@@ -113,6 +119,7 @@ if(ENABLE_HIP)
         ParallelPlateGeometryFillerGPU.cu
         PlanarPoreGeometryFillerGPU.cu
         RejectionVirtualParticleFillerGPU.cu
+        ReverseNonequilibriumShearFlowGPU.cu
         SorterGPU.cu
         SRDCollisionMethodGPU.cu
         )
@@ -265,6 +272,7 @@ set(files
     methods.py
     stream.py
     tune.py
+    update.py
     )
 install(FILES ${files} DESTINATION ${PYTHON_SITE_INSTALL_DIR}/mpcd)
 copy_files_to_build("${files}" "mpcd" "*.py")