NAMD
File List
Here is a list of all files with brief descriptions:
o*Alg7.h
o*AlgNbor.C
o*AlgNbor.h
o*AlgRecBisection.C
o*AlgRecBisection.h
o*AlgSeven.C
o*Array.h
o*AtomMap.C
o*AtomMap.h
o*AVXTileLists.C
o*AVXTileLists.h
o*AVXTiles.C
o*AVXTiles.h
o*AVXTilesKernel.C
o*AVXTilesKernel.h
o*BackEnd.C
o*BackEnd.h
o*BOCgroup.h
o*Box.h
o*BroadcastClient.C
o*BroadcastClient.h
o*BroadcastMgr.C
o*BroadcastMgr.h
o*BroadcastObject.h
o*Broadcasts.h
o*ccsinterface.C
o*ccsinterface.h
o*CollectionMaster.C
o*CollectionMaster.h
o*CollectionMgr.C
o*CollectionMgr.h
o*colvarproxy_namd.C
o*colvarproxy_namd.h
o*colvarproxy_namd_version.h
o*common.C
o*common.h
o*Communicate.C
o*Communicate.h
o*CompressPsf.C
o*CompressPsf.h
o*Compute.C
o*Compute.h
o*ComputeAngles.C
o*ComputeAngles.h
o*ComputeAngles.inl
o*ComputeAniso.C
o*ComputeAniso.h
o*ComputeAniso.inl
o*ComputeBondedCUDA.C
o*ComputeBondedCUDA.h
o*ComputeBondedCUDAKernel.cu
o*ComputeBondedCUDAKernel.h
o*ComputeBonds.C
o*ComputeBonds.h
o*ComputeBonds.inl
o*ComputeConsForce.C
o*ComputeConsForce.h
o*ComputeConsForceMsgs.C
o*ComputeConsForceMsgs.h
o*ComputeCrossterms.C
o*ComputeCrossterms.h
o*ComputeCUDAMgr.C
o*ComputeCUDAMgr.h
o*ComputeCylindricalBC.C
o*ComputeCylindricalBC.h
o*ComputeDihedrals.C
o*ComputeDihedrals.h
o*ComputeDihedrals.inl
o*ComputeDPME.C
o*ComputeDPME.h
o*ComputeDPMEMsgs.C
o*ComputeDPMEMsgs.h
o*ComputeDPMTA.C
o*ComputeDPMTA.h
o*ComputeEField.C
o*ComputeEField.h
o*ComputeEwald.C
o*ComputeEwald.h
o*ComputeExt.C
o*ComputeExt.h
o*ComputeFmmSerial.C
o*ComputeFmmSerial.h
o*ComputeFullDirect.C
o*ComputeFullDirect.h
o*ComputeFullDirectBase.h
o*ComputeGBIS.C
o*ComputeGBIS.inl
o*ComputeGBISCUDAKernel.h
o*ComputeGBISser.C
o*ComputeGBISser.h
o*ComputeGlobal.C
o*ComputeGlobal.h
o*ComputeGlobalMsgs.C
o*ComputeGlobalMsgs.h
o*ComputeGridForce.C
o*ComputeGridForce.h
o*ComputeGromacsPair.C
o*ComputeGromacsPair.h
o*ComputeGromacsPair.inl
o*ComputeHomePatch.C
o*ComputeHomePatch.h
o*ComputeHomePatches.C
o*ComputeHomePatches.h
o*ComputeHomeTuples.h
o*ComputeImpropers.C
o*ComputeImpropers.h
o*ComputeLCPO.C
o*ComputeLCPO.h
o*ComputeMap.C
o*ComputeMap.h
o*ComputeMgr.C
o*ComputeMgr.h
o*ComputeMoa.C
o*ComputeMoa.h
o*ComputeMsm.C
o*ComputeMsm.h
o*ComputeMsmMsa.C
o*ComputeMsmMsa.h
o*ComputeMsmSerial.C
o*ComputeMsmSerial.h
o*ComputeNonbondedAlch.h
o*ComputeNonbondedBase.h
o*ComputeNonbondedBase2.h
o*ComputeNonbondedBase2KNL.h
o*ComputeNonbondedCUDA.C
o*ComputeNonbondedCUDA.h
o*ComputeNonbondedCUDAExcl.C
o*ComputeNonbondedCUDAExcl.h
o*ComputeNonbondedCUDAExcl.inl
o*ComputeNonbondedCUDAKernel.cu
o*ComputeNonbondedCUDAKernel.h
o*ComputeNonbondedCUDAKernelBase.h
o*ComputeNonbondedFEP.C
o*ComputeNonbondedGo.C
o*ComputeNonbondedInl.h
o*ComputeNonbondedLES.C
o*ComputeNonbondedMIC.C
o*ComputeNonbondedMIC.h
o*ComputeNonbondedMICKernel.C
o*ComputeNonbondedMICKernel.h
o*ComputeNonbondedMICKernelBase.h
o*ComputeNonbondedMICKernelBase2.h
o*ComputeNonbondedMICKernelBase2_handcode_single.h
o*ComputeNonbondedMICKernelBase2_scalar.h
o*ComputeNonbondedPair.C
o*ComputeNonbondedPair.h
o*ComputeNonbondedPProf.C
o*ComputeNonbondedSelf.C
o*ComputeNonbondedSelf.h
o*ComputeNonbondedSplitting.h
o*ComputeNonbondedStd.C
o*ComputeNonbondedTabEnergies.C
o*ComputeNonbondedTI.C
o*ComputeNonbondedUtil.C
o*ComputeNonbondedUtil.h
o*ComputePatch.C
o*ComputePatch.h
o*ComputePatchPair.C
o*ComputePatchPair.h
o*ComputePme.C
o*ComputePme.h
o*ComputePmeCUDA.C
o*ComputePmeCUDA.h
o*ComputePmeCUDAKernel.cu
o*ComputePmeCUDAKernel.h
o*ComputePmeCUDAMgr.C
o*ComputePmeCUDAMgr.h
o*ComputeQM.C
o*ComputeQM.h
o*ComputeRestraints.C
o*ComputeRestraints.h
o*ComputeSelfTuples.h
o*ComputeSphericalBC.C
o*ComputeSphericalBC.h
o*ComputeStir.C
o*ComputeStir.h
o*ComputeTclBC.C
o*ComputeTclBC.h
o*ComputeThole.C
o*ComputeThole.h
o*ComputeThole.inl
o*ConfigList.C
o*ConfigList.h
o*Controller.C
o*Controller.h
o*CudaComputeGBISKernel.cu
o*CudaComputeGBISKernel.h
o*CudaComputeNonbonded.C
o*CudaComputeNonbonded.h
o*CudaComputeNonbondedKernel.cu
o*CudaComputeNonbondedKernel.h
o*CudaNonbondedTables.C
o*CudaNonbondedTables.h
o*CudaPmeSolver.C
o*CudaPmeSolver.h
o*CudaPmeSolverUtil.C
o*CudaPmeSolverUtil.h
o*CudaPmeSolverUtilKernel.cu
o*CudaPmeSolverUtilKernel.h
o*CudaTileListKernel.cu
o*CudaTileListKernel.h
o*CudaUtils.C
o*CudaUtils.h
o*DataExchanger.C
o*DataExchanger.h
o*DataStream.C
o*DataStream.h
o*dcdlib.C
o*dcdlib.h
o*Debug.h
o*DeviceCUDA.C
o*DeviceCUDA.h
o*DeviceCUDAkernel.cu
o*diffbinpdb.c
o*DumpBench.C
o*DumpBench.h
o*DumpBenchParams.h
o*dumpdcd.c
o*eabf.h
o*eabf1D.C
o*eabf1D.h
o*eabf2D.C
o*eabf2D.h
o*eabffunc.C
o*eabffunc.h
o*eabfTcl.C
o*elements.h
o*erf.C
o*fitrms.C
o*fitrms.h
o*fixdcd.c
o*flipbinpdb.c
o*flipdcd.c
o*FreeEnergyAssert.C
o*FreeEnergyAssert.h
o*FreeEnergyEnums.h
o*FreeEnergyGroup.C
o*FreeEnergyGroup.h
o*FreeEnergyLambda.C
o*FreeEnergyLambda.h
o*FreeEnergyLambdMgr.C
o*FreeEnergyLambdMgr.h
o*FreeEnergyMain.C
o*FreeEnergyParse.C
o*FreeEnergyParse.h
o*FreeEnergyRestrain.C
o*FreeEnergyRestrain.h
o*FreeEnergyRMgr.C
o*FreeEnergyRMgr.h
o*FreeEnergyVector.C
o*FreeEnergyVector.h
o*fstream_namd.C
o*fstream_namd.h
o*GlobalMaster.C
o*GlobalMaster.h
o*GlobalMasterColvars.h
o*GlobalMasterEasy.C
o*GlobalMasterEasy.h
o*GlobalMasterFreeEnergy.C
o*GlobalMasterFreeEnergy.h
o*GlobalMasterIMD.C
o*GlobalMasterIMD.h
o*GlobalMasterMisc.C
o*GlobalMasterMisc.h
o*GlobalMasterServer.C
o*GlobalMasterServer.h
o*GlobalMasterSMD.C
o*GlobalMasterSMD.h
o*GlobalMasterSymmetry.C
o*GlobalMasterSymmetry.h
o*GlobalMasterTcl.C
o*GlobalMasterTcl.h
o*GlobalMasterTest.C
o*GlobalMasterTest.h
o*GlobalMasterTMD.C
o*GlobalMasterTMD.h
o*GoMolecule.C
o*GridForceGrid.C
o*GridForceGrid.h
o*GridForceGrid.inl
o*GromacsTopFile.C
o*GromacsTopFile.h
o*heap.C
o*heap.h
o*HomePatch.C
o*HomePatch.h
o*HomePatchList.h
o*Hydrogen.h
o*imd.C
o*imd.h
o*IMDOutput.C
o*IMDOutput.h
o*InfoStream.C
o*InfoStream.h
o*largefiles.h
o*Lattice.h
o*LdbCoordinator.C
o*LdbCoordinator.h
o*LJTable.C
o*LJTable.h
o*loaddcd.c
o*main.C
o*main.h
o*mainfunc.C
o*MathArray.h
o*Matrix4.C
o*Matrix4.h
o*Matrix4Symmetry.C
o*Matrix4Symmetry.h
o*Measure.C
o*Measure.h
o*memusage.C
o*memusage.h
o*MGridforceParams.C
o*MGridforceParams.h
o*MigrateAtomsMsg.C
o*MigrateAtomsMsg.h
o*Migration.h
o*Molecule.C
o*Molecule.h
o*Molecule2.C
o*MoleculeQM.C
o*msm.c
o*msm.h
o*msm_defn.h
o*msm_longrng.c
o*msm_longrng_sprec.c
o*msm_setup.c
o*msm_shortrng.c
o*msm_shortrng_sprec.c
o*MsmMacros.h
o*MsmMap.h
o*MStream.C
o*MStream.h
o*NamdCentLB.C
o*NamdCentLB.h
o*NamdDummyLB.C
o*NamdDummyLB.h
o*NamdEventsProfiling.h
o*NamdHybridLB.C
o*NamdHybridLB.h
o*NamdOneTools.C
o*NamdOneTools.h
o*NamdState.C
o*NamdState.h
o*NamdTypes.h
o*Node.C
o*Node.h
o*ObjectArena.h
o*Output.C
o*Output.h
o*OwnerBox.h
o*packmsg.h
o*ParallelIOMgr.C
o*ParallelIOMgr.h
o*Parameters.C
o*Parameters.h
o*parm.C
o*parm.h
o*ParseOptions.C
o*ParseOptions.h
o*Patch.C
o*Patch.h
o*PatchMap.C
o*PatchMap.h
o*PatchMap.inl
o*PatchMgr.C
o*PatchMgr.h
o*PatchTypes.h
o*PDB.C
o*PDB.h
o*PDBData.C
o*PDBData.h
o*PluginIOMgr.C
o*PluginIOMgr.h
o*PmeBase.h
o*PmeBase.inl
o*PmeKSpace.C
o*PmeKSpace.h
o*PmeRealSpace.C
o*PmeRealSpace.h
o*PmeSolver.C
o*PmeSolver.h
o*PmeSolverUtil.h
o*Pointer.h
o*PressureProfile.h
o*Priorities.h
o*ProcessorPrivate.C
o*ProcessorPrivate.h
o*ProxyMgr.C
o*ProxyMgr.h
o*ProxyPatch.C
o*ProxyPatch.h
o*pub3dfft.C
o*pub3dfft.h
o*Random.h
o*Rebalancer.C
o*Rebalancer.h
o*RecBisection.C
o*RecBisection.h
o*ReductionMgr.C
o*ReductionMgr.h
o*RefineOnly.C
o*RefineOnly.h
o*RefineTorusLB.C
o*RefineTorusLB.h
o*ReserveArray.h
o*ResizeArray.h
o*ResizeArrayIter.h
o*ResizeArrayPrimIter.h
o*ResizeArrayRaw.h
o*ScriptTcl.C
o*ScriptTcl.h
o*Sequencer.C
o*Sequencer.h
o*Set.C
o*Set.h
o*Settle.C
o*Settle.h
o*SimParameters.C
o*SimParameters.h
o*SortableResizeArray.h
o*SortAtoms.C
o*SortAtoms.h
o*SortedArray.h
o*sortreplicas.c
o*strlib.C
o*strlib.h
o*structures.h
o*Sync.C
o*Sync.h
o*TclCommands.C
o*TclCommands.h
o*TclVec.C
o*Tensor.h
o*TestArray.C
o*TestArray.h
o*Thread.h
o*TorusLB.C
o*TorusLB.h
o*TupleTypesCUDA.h
o*UniqueSet.h
o*UniqueSetIter.h
o*UniqueSetRaw.h
o*UniqueSortedArray.h
o*varsizemsg.h
o*Vector.h
o*vmdsock.C
o*vmdsock.h
o*wkfutils.c
o*wkfutils.h
o*WorkDistrib.C
\*WorkDistrib.h