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A general model for frictional contacts in colloidal systems #2116

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44680da
Added FrictionLJ pair interactions for frictional contacts
Aug 12, 2025
abe8db9
Added name to credits
Aug 12, 2025
e5b3a14
Changed friction.py error
Aug 12, 2025
1c607db
Removed unnecessary imports in friction.py
Aug 13, 2025
e2ceeee
Changed order of classes to alphabetical order in friction.py
Aug 13, 2025
3fb44e5
Changed order of classes to alphabetical order in friction.py
Aug 13, 2025
a4d5883
Changed order of classes to alphabetical order in friction.py
Aug 13, 2025
bca28c2
pre-commit run applied
Aug 13, 2025
f0fb9aa
Merge remote-tracking branch 'upstream/trunk-minor' into trunk-patch
Sep 22, 2025
567255b
Addressed the change requests and suggestions
Oct 13, 2025
239ca42
Merge branch 'trunk-patch' into trunk-patch
khofmann6 Oct 13, 2025
af20c3a
Applied style changes to friction.py
Oct 13, 2025
2797ed2
Changed the example code for the user
Oct 13, 2025
c10e0b2
Fixed errors in FrictionPairGPU.cuh, FrictionPairGPU.h and FrictionPa…
Oct 13, 2025
85015ba
Fixed errors
Oct 13, 2025
7402146
.
Oct 13, 2025
9abd4cf
.
Oct 14, 2025
f4dc741
.
Oct 14, 2025
23e7a99
Updated documentation
Oct 16, 2025
a863efc
Updated documentation
Oct 16, 2025
6199b02
Fix doc build errors with inspect.cleandoc.
joaander Oct 27, 2025
7265974
Apply suggestions from code review.
joaander Oct 27, 2025
be3b88b
Wrap aligned equations in align blocks.
joaander Oct 27, 2025
b9ed8dd
Set non-overlapping s_extra block.
joaander Oct 27, 2025
90f626f
Changed name of constant friction model to Coulomb friction model
Oct 28, 2025
b23aa19
Remove unused shift_mode.
joaander Oct 28, 2025
99c5c2a
Fix compile error.
joaander Oct 28, 2025
b688028
Correctly set one accepted mode.
joaander Oct 28, 2025
8134958
Mention pair.friction.
joaander Oct 31, 2025
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8 changes: 8 additions & 0 deletions CHANGELOG.rst
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Original file line number Diff line number Diff line change
Expand Up @@ -4,6 +4,14 @@ Change Log
5.x
---

6.0.0 (not released)
^^^^^^^^^^^^^^^^^^^^

*Added*

* Add thermodynamically consistent frictional contact forces: ``hoomd.md.pair.friction``
(`#2116 <https://github.com/glotzerlab/hoomd-blue/pull/2116>`__).

5.4.0 (2025-09-26)
^^^^^^^^^^^^^^^^^^^^

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2 changes: 1 addition & 1 deletion hoomd/RNGIdentifiers.h
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Original file line number Diff line number Diff line change
Expand Up @@ -38,7 +38,7 @@ struct RNGIdentifier
static const uint8_t Unused3 = 12;
static const uint8_t Unused4 = 13;
static const uint8_t Unused5 = 14;
static const uint8_t Unused6 = 15;
static const uint8_t EvaluatorPairFrictionLJBase = 15;
static const uint8_t Unused7 = 16;
static const uint8_t Unused8 = 17;
static const uint8_t Unused9 = 18;
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8 changes: 8 additions & 0 deletions hoomd/md/CMakeLists.txt
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Expand Up @@ -23,6 +23,7 @@ set(_md_sources module-md.cc
FIREEnergyMinimizer.cc
ForceComposite.cc
ForceDistanceConstraint.cc
FrictionPairFrictionLJBase.cc
HalfStepHook.cc
HarmonicAngleForceCompute.cc
HarmonicDihedralForceCompute.cc
Expand Down Expand Up @@ -109,6 +110,8 @@ set(_md_headers ActiveForceComputeGPU.h
EvaluatorPairALJ.h
EvaluatorPairBuckingham.h
EvaluatorPairDipole.h
EvaluatorPairFrictionLJBase.h
EvaluatorPairFrictionLJVariants.h
EvaluatorPairYLZ.h
EvaluatorPairDLVO.h
EvaluatorPairDPDThermoLJ.h
Expand Down Expand Up @@ -216,6 +219,9 @@ set(_md_headers ActiveForceComputeGPU.h
PPPMForceComputeGPU.h
PPPMForceComputeGPU.cuh
PPPMForceCompute.h
FrictionPairGPU.cuh
FrictionPairGPU.h
FrictionPair.h
TableAngleForceComputeGPU.h
TableAngleForceCompute.h
TableAngleForceGPU.cuh
Expand Down Expand Up @@ -286,6 +292,7 @@ list(APPEND _md_sources ActiveForceComputeGPU.cc
OPLSDihedralForceComputeGPU.cc
PeriodicImproperForceComputeGPU.cc
PPPMForceComputeGPU.cc
FrictionPairFrictionLJBaseGPU.cc
TableAngleForceComputeGPU.cc
TableDihedralForceComputeGPU.cc
TriangleAreaConservationMeshForceComputeGPU.cc
Expand Down Expand Up @@ -327,6 +334,7 @@ set(_md_cu_sources ActiveForceComputeGPU.cu
OPLSDihedralForceGPU.cu
PeriodicImproperForceGPU.cu
PPPMForceComputeGPU.cu
FrictionPairFrictionLJBaseGPUKernel.cu
TableAngleForceGPU.cu
TableDihedralForceGPU.cu
TriangleAreaConservationMeshForceComputeGPU.cu
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