@@ -89,8 +89,10 @@ set(_md_headers ActiveForceComputeGPU.h
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ComputeThermoTypes.h
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ComputeThermoHMATypes.h
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ConstantForceComputeGPU.h
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+ ConstantForceComputeGPU.cuh
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ConstantForceCompute.h
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CosineSqAngleForceComputeGPU.h
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+ CosineSqAngleForceGPU.cuh
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CosineSqAngleForceCompute.h
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CustomForceCompute.h
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EvaluatorBondFENE.h
@@ -99,7 +101,7 @@ set(_md_headers ActiveForceComputeGPU.h
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EvaluatorSpecialPairLJ.h
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EvaluatorSpecialPairCoulomb.h
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EvaluatorExternalElectricField.h
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- EvaluatorExternalMagneticField.h
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+ EvaluatorExternalMagneticField.h
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EvaluatorExternalPeriodic.h
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EvaluatorPairALJ.h
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EvaluatorPairBuckingham.h
@@ -131,20 +133,27 @@ set(_md_headers ActiveForceComputeGPU.h
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EvaluatorTersoff.h
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EvaluatorWalls.h
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FIREEnergyMinimizerGPU.h
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+ FIREEnergyMinimizerGPU.cuh
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FIREEnergyMinimizer.h
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ForceCompositeGPU.h
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+ ForceCompositeGPU.cuh
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ForceComposite.h
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ForceDistanceConstraintGPU.h
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+ ForceDistanceConstraintGPU.cuh
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ForceDistanceConstraint.h
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PatchEnvelope.h
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HarmonicAngleForceComputeGPU.h
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HarmonicAngleForceCompute.h
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+ HarmonicAngleForceGPU.cuh
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HarmonicDihedralForceComputeGPU.h
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HarmonicDihedralForceCompute.h
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+ HarmonicDihedralForceGPU.cuh
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HarmonicImproperForceComputeGPU.h
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HarmonicImproperForceCompute.h
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- HelfrichMeshForceComputeGPU.h
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- HelfrichMeshForceCompute.h
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+ HarmonicImproperForceGPU.cuh
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+ HelfrichMeshForceComputeGPU.h
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+ HelfrichMeshForceComputeGPU.cuh
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+ HelfrichMeshForceCompute.h
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IntegrationMethodTwoStep.h
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IntegratorTwoStep.h
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ManifoldZCylinder.h
@@ -159,15 +168,20 @@ set(_md_headers ActiveForceComputeGPU.h
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MuellerPlatheFlowEnum.h
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MuellerPlatheFlow.h
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MuellerPlatheFlowGPU.h
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+ MuellerPlatheFlowGPU.cuh
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NeighborListBinned.h
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NeighborListGPUBinned.h
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NeighborListGPU.h
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+ NeighborListGPU.cuh
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NeighborListGPUStencil.h
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+ NeighborListGPUStencil.cuh
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NeighborListGPUTree.h
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+ NeighborListGPUTree.cuh
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NeighborList.h
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NeighborListStencil.h
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NeighborListTree.h
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OPLSDihedralForceComputeGPU.h
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+ OPLSDihedralForceGPU.cuh
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OPLSDihedralForceCompute.h
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PairModulator.h
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PotentialBondGPU.h
@@ -191,10 +205,13 @@ set(_md_headers ActiveForceComputeGPU.h
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PeriodicImproper.h
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PeriodicImproperForceCompute.h
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PeriodicImproperForceComputeGPU.h
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+ PeriodicImproperForceGPU.cuh
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PPPMForceComputeGPU.h
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+ PPPMForceComputeGPU.cuh
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PPPMForceCompute.h
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TableAngleForceComputeGPU.h
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TableAngleForceCompute.h
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+ TableAngleForceGPU.cuh
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TableDihedralForceComputeGPU.h
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TableDihedralForceCompute.h
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TriangleAreaConservationMeshParameters.h
@@ -208,6 +225,7 @@ set(_md_headers ActiveForceComputeGPU.h
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TwoStepRATTLEBD.h
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TwoStepLangevinBase.h
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TwoStepLangevinGPU.h
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+ TwoStepLangevinGPU.cuh
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TwoStepRATTLELangevinGPU.h
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TwoStepRATTLELangevinGPU.cuh
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TwoStepLangevin.h
@@ -217,12 +235,16 @@ set(_md_headers ActiveForceComputeGPU.h
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TwoStepRATTLENVE.h
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TwoStepConstantVolume.h
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TwoStepConstantVolumeGPU.h
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+ TwoStepConstantVolumeGPU.cuh
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TwoStepConstantPressure.h
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+ TwoStepConstantPressureGPU.h
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+ TwoStepConstantPressureGPU.cuh
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AlchemostatTwoStep.h
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TwoStepNVTAlchemy.h
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- VolumeConservationMeshParameters.h
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- VolumeConservationMeshForceCompute.h
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- VolumeConservationMeshForceComputeGPU.h
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+ VolumeConservationMeshParameters.h
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+ VolumeConservationMeshForceCompute.h
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+ VolumeConservationMeshForceComputeGPU.h
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+ VolumeConservationMeshForceComputeGPU.cuh
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AlchemostatTwoStep.h
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WallData.h
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ZeroMomentumUpdater.h
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