NAMD
File List
Here is a list of all files with brief descriptions:
 Alg7.h
 AlgNbor.C
 AlgNbor.h
 AlgRecBisection.C
 AlgRecBisection.h
 AlgSeven.C
 Array.h
 AtomMap.C
 AtomMap.h
 AVXTileLists.C
 AVXTileLists.h
 AVXTiles.C
 AVXTiles.h
 AVXTilesKernel.C
 AVXTilesKernel.h
 BackEnd.C
 BackEnd.h
 BOCgroup.h
 Box.h
 BroadcastClient.C
 BroadcastClient.h
 BroadcastMgr.C
 BroadcastMgr.h
 BroadcastObject.h
 Broadcasts.h
 ccsinterface.C
 ccsinterface.h
 CollectionMaster.C
 CollectionMaster.h
 CollectionMgr.C
 CollectionMgr.h
 colvarproxy_namd.C
 colvarproxy_namd.h
 colvarproxy_namd_version.h
 common.C
 common.h
 Communicate.C
 Communicate.h
 CompressPsf.C
 CompressPsf.h
 Compute.C
 Compute.h
 ComputeAngles.C
 ComputeAngles.h
 ComputeAngles.inl
 ComputeAniso.C
 ComputeAniso.h
 ComputeAniso.inl
 ComputeBondedCUDA.C
 ComputeBondedCUDA.h
 ComputeBondedCUDAKernel.cu
 ComputeBondedCUDAKernel.h
 ComputeBonds.C
 ComputeBonds.h
 ComputeBonds.inl
 ComputeCOMCudaKernel.h
 ComputeConsForce.C
 ComputeConsForce.h
 ComputeConsForceCUDA.C
 ComputeConsForceCUDA.h
 ComputeConsForceCUDAKernel.cu
 ComputeConsForceCUDAKernel.h
 ComputeConsForceMsgs.C
 ComputeConsForceMsgs.h
 ComputeCrossterms.C
 ComputeCrossterms.h
 ComputeCUDAMgr.C
 ComputeCUDAMgr.h
 ComputeCylindricalBC.C
 ComputeCylindricalBC.h
 ComputeDihedrals.C
 ComputeDihedrals.h
 ComputeDihedrals.inl
 ComputeDPME.C
 ComputeDPME.h
 ComputeDPMEMsgs.C
 ComputeDPMEMsgs.h
 ComputeDPMTA.C
 ComputeDPMTA.h
 ComputeEField.C
 ComputeEField.h
 ComputeEwald.C
 ComputeEwald.h
 ComputeExt.C
 ComputeExt.h
 ComputeFmmSerial.C
 ComputeFmmSerial.h
 ComputeFullDirect.C
 ComputeFullDirect.h
 ComputeFullDirectBase.h
 ComputeGBIS.C
 ComputeGBIS.inl
 ComputeGBISCUDAKernel.h
 ComputeGBISser.C
 ComputeGBISser.h
 ComputeGlobal.C
 ComputeGlobal.h
 ComputeGlobalMasterVirialCUDAKernel.cu
 ComputeGlobalMasterVirialCUDAKernel.h
 ComputeGlobalMsgs.C
 ComputeGlobalMsgs.h
 ComputeGridForce.C
 ComputeGridForce.h
 ComputeGridForceCUDA.C
 ComputeGridForceCUDA.h
 ComputeGridForceCUDAKernel.cu
 ComputeGridForceCUDAKernel.h
 ComputeGromacsPair.C
 ComputeGromacsPair.h
 ComputeGromacsPair.inl
 ComputeGroupRes1GroupCUDAKernel.cu
 ComputeGroupRes1GroupCUDAKernel.h
 ComputeGroupRes2GroupCUDAKernel.cu
 ComputeGroupRes2GroupCUDAKernel.h
 ComputeGroupRestraintsCUDA.C
 ComputeGroupRestraintsCUDA.h
 ComputeHomePatch.C
 ComputeHomePatch.h
 ComputeHomePatches.C
 ComputeHomePatches.h
 ComputeHomeTuples.h
 ComputeImpropers.C
 ComputeImpropers.h
 ComputeLCPO.C
 ComputeLCPO.h
 ComputeLjPmeSerial.C
 ComputeLjPmeSerial.h
 ComputeLonepairsCUDA.C
 ComputeLonepairsCUDA.h
 ComputeLonepairsCUDAKernel.cu
 ComputeLonepairsCUDAKernel.h
 ComputeMap.C
 ComputeMap.h
 ComputeMgr.C
 ComputeMgr.h
 ComputeMoa.C
 ComputeMoa.h
 ComputeMsm.C
 ComputeMsm.h
 ComputeMsmMsa.C
 ComputeMsmMsa.h
 ComputeMsmSerial.C
 ComputeMsmSerial.h
 ComputeNonbondedAlch.h
 ComputeNonbondedBase.h
 ComputeNonbondedBase2.h
 ComputeNonbondedBase2KNL.h
 ComputeNonbondedCUDAExcl.C
 ComputeNonbondedCUDAExcl.h
 ComputeNonbondedCUDAExcl.inl
 ComputeNonbondedFEP.C
 ComputeNonbondedGo.C
 ComputeNonbondedInl.h
 ComputeNonbondedLES.C
 ComputeNonbondedPair.C
 ComputeNonbondedPair.h
 ComputeNonbondedPProf.C
 ComputeNonbondedSelf.C
 ComputeNonbondedSelf.h
 ComputeNonbondedSplitting.h
 ComputeNonbondedStd.C
 ComputeNonbondedTabEnergies.C
 ComputeNonbondedTI.C
 ComputeNonbondedUtil.C
 ComputeNonbondedUtil.h
 ComputePatch.C
 ComputePatch.h
 ComputePatchPair.C
 ComputePatchPair.h
 ComputePme.C
 ComputePme.h
 ComputePmeCUDA.C
 ComputePmeCUDA.h
 ComputePmeCUDAKernel.cu
 ComputePmeCUDAKernel.h
 ComputePmeCUDAMgr.C
 ComputePmeCUDAMgr.h
 ComputeQM.C
 ComputeQM.h
 ComputeRestraints.C
 ComputeRestraints.h
 ComputeRestraintsCUDA.C
 ComputeRestraintsCUDA.h
 ComputeRestraintsCUDAKernel.cu
 ComputeRestraintsCUDAKernel.h
 ComputeSelfTuples.h
 ComputeSMDCUDA.C
 ComputeSMDCUDA.h
 ComputeSMDCUDAKernel.cu
 ComputeSMDCUDAKernel.h
 ComputeSphericalBC.C
 ComputeSphericalBC.h
 ComputeStir.C
 ComputeStir.h
 ComputeTclBC.C
 ComputeTclBC.h
 ComputeThole.C
 ComputeThole.h
 ComputeThole.inl
 ConfigList.C
 ConfigList.h
 Controller.C
 Controller.h
 CudaComputeGBISKernel.cu
 CudaComputeGBISKernel.h
 CudaComputeNonbonded.C
 CudaComputeNonbonded.h
 CudaComputeNonbondedInteractions.h
 CudaComputeNonbondedKernel.cu
 CudaComputeNonbondedKernel.h
 CudaComputeNonbondedKernel.hip.h
 CudaComputeNonbondedKernelHip.cu
 CudaGlobalMasterClient.C
 CudaGlobalMasterClient.h
 CudaGlobalMasterClientKernel.cu
 CudaGlobalMasterClientKernel.h
 CudaGlobalMasterServer.C
 CudaGlobalMasterServer.h
 CudaGlobalMasterServerKernel.cu
 CudaGlobalMasterServerKernel.h
 CudaNonbondedTables.C
 CudaNonbondedTables.h
 CudaPmeSolver.C
 CudaPmeSolver.h
 CudaPmeSolverUtil.C
 CudaPmeSolverUtil.h
 CudaPmeSolverUtilKernel.cu
 CudaPmeSolverUtilKernel.h
 CudaRecord.h
 CudaTileListKernel.cu
 CudaTileListKernel.h
 CudaTileListKernel.hip.h
 CudaTileListKernelHip.cu
 CudaUtils.C
 CudaUtils.h
 DataExchanger.C
 DataExchanger.h
 DataStream.C
 DataStream.h
 dcdlib.C
 dcdlib.h
 Debug.h
 DeviceCUDA.C
 DeviceCUDA.h
 DeviceCUDAkernel.cu
 diffbinpdb.c
 dlloader.h
 DumpBench.C
 DumpBench.h
 DumpBenchParams.h
 dumpdcd.c
 eabf.h
 eabf1D.C
 eabf1D.h
 eabf2D.C
 eabf2D.h
 eabffunc.C
 eabffunc.h
 eabfTcl.C
 elements.h
 erf.C
 fitrms.C
 fitrms.h
 fixdcd.c
 flipbinpdb.c
 flipdcd.c
 FreeEnergyAssert.C
 FreeEnergyAssert.h
 FreeEnergyEnums.h
 FreeEnergyGroup.C
 FreeEnergyGroup.h
 FreeEnergyLambda.C
 FreeEnergyLambda.h
 FreeEnergyLambdMgr.C
 FreeEnergyLambdMgr.h
 FreeEnergyMain.C
 FreeEnergyParse.C
 FreeEnergyParse.h
 FreeEnergyRestrain.C
 FreeEnergyRestrain.h
 FreeEnergyRMgr.C
 FreeEnergyRMgr.h
 FreeEnergyVector.C
 FreeEnergyVector.h
 fstream_namd.C
 fstream_namd.h
 GBData.h
 GlobalMaster.C
 GlobalMaster.h
 GlobalMasterColvars.h
 GlobalMasterEasy.C
 GlobalMasterEasy.h
 GlobalMasterFreeEnergy.C
 GlobalMasterFreeEnergy.h
 GlobalMasterIMD.C
 GlobalMasterIMD.h
 GlobalMasterMisc.C
 GlobalMasterMisc.h
 GlobalMasterServer.C
 GlobalMasterServer.h
 GlobalMasterSMD.C
 GlobalMasterSMD.h
 GlobalMasterSymmetry.C
 GlobalMasterSymmetry.h
 GlobalMasterTcl.C
 GlobalMasterTcl.h
 GlobalMasterTest.C
 GlobalMasterTest.h
 GlobalMasterTMD.C
 GlobalMasterTMD.h
 GoMolecule.C
 GridForceGrid.C
 GridForceGrid.h
 GridForceGrid.inl
 GridforceGridCUDA.C
 GridforceGridCUDA.h
 GridforceGridCUDAKernel.h
 GromacsTopFile.C
 GromacsTopFile.h
 GroupRestraintsParam.C
 GroupRestraintsParam.h
 heap.C
 heap.h
 HipDefines.h
 HomePatch.C
 HomePatch.h
 HomePatchList.h
 Hydrogen.h
 imd.C
 imd.h
 IMDOutput.C
 IMDOutput.h
 InfoStream.C
 InfoStream.h
 largefiles.h
 Lattice.h
 LdbCoordinator.C
 LdbCoordinator.h
 LincsSolver.C
 LincsSolver.h
 LjPmeBase.h
 LjPmeCompute.C
 LjPmeCompute.h
 LjPmeKSpace.C
 LjPmeKSpace.h
 LjPmeMgr.C
 LjPmeMgr.h
 LjPmeRealSpace.C
 LjPmeRealSpace.h
 LJTable.C
 LJTable.h
 loaddcd.c
 main.C
 main.h
 mainfunc.C
 MathArray.h
 Matrix4.C
 Matrix4.h
 Matrix4Symmetry.C
 Matrix4Symmetry.h
 Measure.C
 Measure.h
 memusage.C
 memusage.h
 MGridforceParams.C
 MGridforceParams.h
 MigrateAtomsMsg.C
 MigrateAtomsMsg.h
 Migration.h
 MigrationBondedCUDAKernel.cu
 MigrationBondedCUDAKernel.h
 MigrationCUDAKernel.cu
 MigrationCUDAKernel.h
 Molecule.C
 Molecule.h
 Molecule2.C
 MoleculeQM.C
 MShakeKernel.cu
 MShakeKernel.h
 msm.c
 msm.h
 msm_defn.h
 msm_longrng.c
 msm_longrng_sprec.c
 msm_setup.c
 msm_shortrng.c
 msm_shortrng_sprec.c
 MsmMacros.h
 MsmMap.h
 MStream.C
 MStream.h
 NamdCentLB.C
 NamdCentLB.h
 NamdDummyLB.C
 NamdDummyLB.h
 NamdEventsProfiling.h
 NamdHybridLB.C
 NamdHybridLB.h
 NamdOneTools.C
 NamdOneTools.h
 NamdState.C
 NamdState.h
 NamdTypes.h
 Node.C
 Node.h
 ObjectArena.h
 Output.C
 Output.h
 OwnerBox.h
 packmsg.h
 ParallelIOMgr.C
 ParallelIOMgr.h
 Parameters.C
 Parameters.h
 parm.C
 parm.h
 ParseOptions.C
 ParseOptions.h
 Patch.C
 Patch.h
 PatchData.C
 PatchData.h
 PatchMap.C
 PatchMap.h
 PatchMap.inl
 PatchMgr.C
 PatchMgr.h
 PatchTypes.h
 PDB.C
 PDB.h
 PDBData.C
 PDBData.h
 PluginIOMgr.C
 PluginIOMgr.h
 PmeBase.h
 PmeBase.inl
 PmeKSpace.C
 PmeKSpace.h
 PmeRealSpace.C
 PmeRealSpace.h
 PmeSolver.C
 PmeSolver.h
 PmeSolverUtil.h
 Pointer.h
 PressureProfile.h
 Priorities.h
 ProcessorPrivate.C
 ProcessorPrivate.h
 ProxyMgr.C
 ProxyMgr.h
 ProxyPatch.C
 ProxyPatch.h
 pub3dfft.C
 pub3dfft.h
 Random.h
 ReadAmberParm.C
 ReadAmberParm.h
 Rebalancer.C
 Rebalancer.h
 RecBisection.C
 RecBisection.h
 ReductionMgr.C
 ReductionMgr.h
 RefineOnly.C
 RefineOnly.h
 RefineTorusLB.C
 RefineTorusLB.h
 ReserveArray.h
 ResizeArray.h
 ResizeArrayIter.h
 ResizeArrayPrimIter.h
 ResizeArrayRaw.h
 ScriptTcl.C
 ScriptTcl.h
 Sequencer.C
 Sequencer.h
 SequencerCUDA.C
 SequencerCUDA.h
 SequencerCUDAKernel.cu
 SequencerCUDAKernel.h
 Set.C
 Set.h
 Settle.C
 Settle.h
 SimParameters.C
 SimParameters.h
 SortableResizeArray.h
 SortAtoms.C
 SortAtoms.h
 SortedArray.h
 sortreplicas.c
 strlib.C
 strlib.h
 structures.h
 Sync.C
 Sync.h
 TclCommands.C
 TclCommands.h
 TclVec.C
 Tensor.h
 TestArray.C
 TestArray.h
 Thread.h
 TorusLB.C
 TorusLB.h
 TupleString.h
 TupleTypesCUDA.h
 UniqueSet.h
 UniqueSetIter.h
 UniqueSetRaw.h
 UniqueSortedArray.h
 varsizemsg.h
 Vector.h
 vmdsock.C
 vmdsock.h
 wkfutils.c
 wkfutils.h
 WorkDistrib.C
 WorkDistrib.h
 xxh3.h
 xxhash.h