| .cvsignore |
| ANARIDisplayDevice.C |
| ANARIDisplayDevice.h |
| ANARIRenderer.C |
| ANARIRenderer.h |
| Animation.C |
| Animation.h |
| ArtDisplayDevice.C |
| ArtDisplayDevice.h |
| Atom.h |
| AtomColor.C |
| AtomColor.h |
| AtomLexer.C |
| AtomLexer.l |
| AtomParser.C |
| AtomParser.h |
| AtomParser.y |
| AtomRep.C |
| AtomRep.h |
| AtomSel.C |
| AtomSel.h |
| Axes.C |
| Axes.h |
| BaseMolecule.C |
| BaseMolecule.h |
| Benchmark.C |
| Benchmark.h |
| BondSearch.C |
| BondSearch.h |
| CUDAAccel.C |
| CUDAAccel.h |
| CUDABench.cu |
| CUDAClearDevice.cu |
| CUDADispCmds.cu |
| CUDAFastPBC.cu |
| CUDAGaussianBlur.cu |
| CUDAGaussianBlur.h |
| CUDAKernels.h |
| CUDAMDFF.cu |
| CUDAMDFF.h |
| CUDAMarchingCubes.cu |
| CUDAMarchingCubes.h |
| CUDAMeasureQCP.cu |
| CUDAMeasureQCP.h |
| CUDAMeasureRDF.cu |
| CUDAOrbital.cu |
| CUDAOrbital.h |
| CUDAParPrefixOps.cu |
| CUDAParPrefixOps.h |
| CUDAQuickSurf.cu |
| CUDAQuickSurf.h |
| CUDASegmentation.cu |
| CUDASegmentation.h |
| CUDASort.cu |
| CUDASort.h |
| CUDASpatialSearch.cu |
| CUDASpatialSearch.h |
| CUDAUtil.cu |
| CUDAVolCPotential.cu |
| CUDAVolMapCreateILS.cu |
| CUDAWatershed.cu |
| CUDAWatershed.h |
| CUDAWrapNVML.cu |
| CUDAWrapNVML.h |
| CaveDisplayDevice.C |
| CaveDisplayDevice.h |
| CaveRoutines.C |
| CaveRoutines.h |
| CaveScene.C |
| CaveScene.h |
| CmdAnimate.C |
| CmdAnimate.h |
| CmdColor.C |
| CmdColor.h |
| CmdDisplay.C |
| CmdDisplay.h |
| CmdIMD.C |
| CmdIMD.h |
| CmdLabel.C |
| CmdLabel.h |
| CmdMaterial.C |
| CmdMaterial.h |
| CmdMenu.C |
| CmdMenu.h |
| CmdMol.C |
| CmdMol.h |
| CmdPlugin.h |
| CmdRender.C |
| CmdRender.h |
| CmdTrans.C |
| CmdTrans.h |
| ColorFltkMenu.C |
| ColorFltkMenu.h |
| ColorInfo.C |
| ColorScaleTables.h |
| Command.h |
| CommandQueue.C |
| CommandQueue.h |
| CoorData.h |
| CoorPluginData.C |
| CoorPluginData.h |
| DepthSortObj.h |
| DispCmds.C |
| DispCmds.h |
| DisplayDevice.C |
| DisplayDevice.h |
| DisplayFltkMenu.C |
| DisplayFltkMenu.h |
| DisplayRocker.C |
| DisplayRocker.h |
| Displayable.C |
| Displayable.h |
| DrawForce.C |
| DrawForce.h |
| DrawMolItem.C |
| DrawMolItem.h |
| DrawMolItem2.C |
| DrawMolItemMSMS.C |
| DrawMolItemNanoShaper.C |
| DrawMolItemOrbital.C |
| DrawMolItemQuickSurf.C |
| DrawMolItemRibbons.C |
| DrawMolItemRings.C |
| DrawMolItemSolventPoints.data |
| DrawMolItemSurface.C |
| DrawMolItemVolume.C |
| DrawMolecule.C |
| DrawMolecule.h |
| DrawRingsUtils.C |
| DrawRingsUtils.h |
| FPS.C |
| FPS.h |
| FastPBC.C |
| FastPBC.h |
| FileChooserFltkMenu.C |
| FileChooserFltkMenu.h |
| FileRenderList.C |
| FileRenderList.h |
| FileRenderer.C |
| FileRenderer.h |
| FltkOpenGLDisplayDevice.C |
| FltkOpenGLDisplayDevice.h |
| Fragment.h |
| FreeVRDisplayDevice.C |
| FreeVRDisplayDevice.h |
| FreeVRRoutines.C |
| FreeVRRoutines.h |
| FreeVRScene.C |
| FreeVRScene.h |
| GaussianBlur.C |
| GaussianBlur.h |
| GelatoDisplayDevice.C |
| GelatoDisplayDevice.h |
| GeometryAngle.C |
| GeometryAngle.h |
| GeometryAtom.C |
| GeometryAtom.h |
| GeometryBond.C |
| GeometryBond.h |
| GeometryDihedral.C |
| GeometryDihedral.h |
| GeometryFltkMenu.C |
| GeometryFltkMenu.h |
| GeometryList.C |
| GeometryList.h |
| GeometryMol.C |
| GeometryMol.h |
| GeometrySpring.C |
| GeometrySpring.h |
| GraphLayout.C |
| GraphLayout.h |
| GraphicsFltkMenu.C |
| GraphicsFltkMenu.h |
| GraphicsFltkReps.h |
| HMDMgr.C |
| HMDMgr.h |
| Hershey.C |
| Hershey.h |
| IMDMgr.C |
| IMDMgr.h |
| IMDSim.C |
| IMDSim.h |
| IMDSimBlocking.C |
| IMDSimBlocking.h |
| IMDSimThread.C |
| IMDSimThread.h |
| ImageIO.C |
| ImageIO.h |
| Inform.C |
| Inform.h |
| Isocontour.C |
| Isocontour.h |
| Isosurface.C |
| Isosurface.h |
| JRegex.C |
| JRegex.h |
| JString.C |
| JString.h |
| LibGelatoDisplayDevice.C |
| LibGelatoDisplayDevice.h |
| LibTachyonDisplayDevice.C |
| LibTachyonDisplayDevice.h |
| MDFF.C |
| MDFF.h |
| MSMSInterface.C |
| MSMSInterface.h |
| MainFltkMenu.C |
| MainFltkMenu.h |
| Makedata.depend |
| Makefile.lexyacc |
| Makefile.optixshader |
| MaterialFltkMenu.C |
| MaterialFltkMenu.h |
| MaterialList.C |
| MaterialList.h |
| Matrix4.C |
| Matrix4.h |
| MayaDisplayDevice.C |
| MayaDisplayDevice.h |
| Measure.C |
| Measure.h |
| MeasureCluster.C |
| MeasurePBC.C |
| MeasureQCP.C |
| MeasureRDF.C |
| MeasureSurface.C |
| MeasureSymmetry.C |
| MeasureSymmetry.h |
| MeasureVolInterior.C |
| MeasureVolInterior.h |
| MobileButtons.C |
| MobileButtons.h |
| MobileInterface.C |
| MobileInterface.h |
| MobileTracker.C |
| MobileTracker.h |
| MolBrowser.C |
| MolBrowser.h |
| MolFilePlugin.C |
| MolFilePlugin.h |
| Molecule.C |
| Molecule.h |
| MoleculeGraphics.C |
| MoleculeGraphics.h |
| MoleculeList.C |
| MoleculeList.h |
| Mouse.C |
| Mouse.h |
| NVENCMgr.C |
| NVENCMgr.h |
| NameList.h |
| NanoShaperInterface.C |
| NanoShaperInterface.h |
| OSPRay2DisplayDevice.C |
| OSPRay2DisplayDevice.h |
| OSPRay2Renderer.C |
| OSPRay2Renderer.h |
| OSPRayDisplayDevice.C |
| OSPRayDisplayDevice.h |
| OSPRayRenderer.C |
| OSPRayRenderer.h |
| OpenCLKernels.h |
| OpenCLOrbital.C |
| OpenCLUtils.C |
| OpenCLUtils.h |
| OpenCLVolCPotential.C |
| OpenGLCache.C |
| OpenGLCache.h |
| OpenGLDisplayDevice.C |
| OpenGLDisplayDevice.h |
| OpenGLExtensions.C |
| OpenGLExtensions.h |
| OpenGLPbufferDisplayDevice.C |
| OpenGLPbufferDisplayDevice.h |
| OpenGLRenderer.C |
| OpenGLRenderer.h |
| OpenGLShader.C |
| OpenGLShader.h |
| OpenGLStipples.h |
| OptiXDisplayDevice.C |
| OptiXDisplayDevice.h |
| OptiXRenderer.C |
| OptiXRenderer.h |
| OptiXShaders.cu |
| OptiXShaders.h |
| Orbital.C |
| Orbital.h |
| OrbitalJIT.C |
| OrbitalJIT.h |
| Orbital_AVX2.C |
| Orbital_AVX512.C |
| Orbital_AVX512ER.C |
| Orbital_NEON.C |
| Orbital_SVE.C |
| POV3DisplayDevice.C |
| POV3DisplayDevice.h |
| PSDisplayDevice.C |
| PSDisplayDevice.h |
| P_Buttons.C |
| P_Buttons.h |
| P_CaveButtons.C |
| P_CaveButtons.h |
| P_CaveTracker.C |
| P_CaveTracker.h |
| P_CmdTool.C |
| P_CmdTool.h |
| P_Feedback.h |
| P_FreeVRButtons.C |
| P_FreeVRButtons.h |
| P_FreeVRTracker.C |
| P_FreeVRTracker.h |
| P_GrabTool.C |
| P_GrabTool.h |
| P_JoystickButtons.C |
| P_JoystickButtons.h |
| P_JoystickTool.C |
| P_JoystickTool.h |
| P_PinchTool.C |
| P_PinchTool.h |
| P_PrintTool.C |
| P_PrintTool.h |
| P_RotateTool.C |
| P_RotateTool.h |
| P_SensorConfig.C |
| P_SensorConfig.h |
| P_Tool.C |
| P_Tool.h |
| P_Tracker.C |
| P_Tracker.h |
| P_TugTool.C |
| P_TugTool.h |
| P_UIVR.C |
| P_UIVR.h |
| P_VRPNButtons.C |
| P_VRPNButtons.h |
| P_VRPNFeedback.C |
| P_VRPNFeedback.h |
| P_VRPNTracker.C |
| P_VRPNTracker.h |
| ParseTree.C |
| ParseTree.h |
| PeriodicTable.C |
| PeriodicTable.h |
| PhoneButtons.C |
| PhoneButtons.h |
| PhoneTracker.C |
| PhoneTracker.h |
| PickList.C |
| PickList.h |
| PickMode.h |
| PickModeAddBond.C |
| PickModeAddBond.h |
| PickModeCenter.C |
| PickModeCenter.h |
| PickModeForce.C |
| PickModeForce.h |
| PickModeList.C |
| PickModeList.h |
| PickModeMolLabel.C |
| PickModeMolLabel.h |
| PickModeMove.C |
| PickModeMove.h |
| PickModeUser.C |
| PickModeUser.h |
| Pickable.h |
| PlainTextInterp.C |
| PlainTextInterp.h |
| PluginMgr.C |
| PluginMgr.h |
| ProfileHooks.h |
| PythonTextInterp.C |
| PythonTextInterp.h |
| QMData.C |
| QMData.h |
| QMTimestep.C |
| QMTimestep.h |
| QuickSurf.C |
| QuickSurf.h |
| QuickSurf_AVX2.C |
| QuickSurf_NEON.C |
| R3dDisplayDevice.C |
| R3dDisplayDevice.h |
| RadianceDisplayDevice.C |
| RadianceDisplayDevice.h |
| RayShadeDisplayDevice.C |
| RayShadeDisplayDevice.h |
| RenderFltkMenu.C |
| RenderFltkMenu.h |
| RenderManDisplayDevice.C |
| RenderManDisplayDevice.h |
| Residue.h |
| ResizeArray.h |
| SDLOpenGLDisplayDevice.C |
| STLDisplayDevice.C |
| STLDisplayDevice.h |
| SaveTrajectoryFltkMenu.C |
| SaveTrajectoryFltkMenu.h |
| ScaleSpaceFilter.C |
| ScaleSpaceFilter.h |
| Scene.C |
| Scene.h |
| Segmentation.C |
| Segmentation.h |
| SelectionBuilder.C |
| SelectionBuilder.h |
| SmallRing.h |
| SmallRingLinkages.h |
| SnapshotDisplayDevice.C |
| SnapshotDisplayDevice.h |
| SortableArray.h |
| Spaceball.C |
| Spaceball.h |
| SpaceballButtons.C |
| SpaceballButtons.h |
| SpaceballTracker.C |
| SpaceballTracker.h |
| SpatialSearch.C |
| SpatialSearch.h |
| SpringTool.C |
| SpringTool.h |
| Stack.h |
| Stage.C |
| Stage.h |
| Stride.C |
| Stride.h |
| Surf.C |
| Surf.h |
| SymbolTable.C |
| SymbolTable.h |
| TachyonDisplayDevice.C |
| TachyonDisplayDevice.h |
| TclCommands.C |
| TclCommands.h |
| TclFastPBC.C |
| TclGraphLayout.C |
| TclGraphics.C |
| TclMDFF.C |
| TclMDFF.h |
| TclMeasure.C |
| TclMolInfo.C |
| TclSegmentation.C |
| TclTextInterp.C |
| TclTextInterp.h |
| TclVec.C |
| TclVolMap.C |
| TclVoltool.C |
| TextEvent.h |
| TextInterp.h |
| Timestep.C |
| Timestep.h |
| ToolFltkMenu.C |
| ToolFltkMenu.h |
| UIObject.C |
| UIObject.h |
| UIText.C |
| UIText.h |
| VMDApp.C |
| VMDApp.h |
| VMDCollab.C |
| VMDCollab.h |
| VMDDir.C |
| VMDDir.h |
| VMDDisplayList.C |
| VMDDisplayList.h |
| VMDFltkMenu.C |
| VMDFltkMenu.h |
| VMDMPI.C |
| VMDMPI.h |
| VMDMenu.C |
| VMDMenu.h |
| VMDQuat.C |
| VMDQuat.h |
| VMDTitle.C |
| VMDTitle.h |
| VMDTkMenu.C |
| VMDTkMenu.h |
| VMDTkinterMenu.C |
| VMDTkinterMenu.h |
| VRJugglerApp.C |
| VRJugglerApp.h |
| VRJugglerButtons.C |
| VRJugglerButtons.h |
| VRJugglerDisplayDevice.C |
| VRJugglerDisplayDevice.h |
| VRJugglerRoutines.C |
| VRJugglerRoutines.h |
| VRJugglerScene.C |
| VRJugglerScene.h |
| VRJugglerSharedData.C |
| VRJugglerSharedData.h |
| VRJugglerTracker.C |
| VRJugglerTracker.h |
| VideoStream.C |
| VideoStream.h |
| VolCPotential.C |
| VolCPotential.h |
| VolMapCreate.C |
| VolMapCreate.h |
| VolMapCreateILS.C |
| Voltool.C |
| Voltool.h |
| VolumeTexture.C |
| VolumeTexture.h |
| VolumetricData.C |
| VolumetricData.h |
| Vrml2DisplayDevice.C |
| Vrml2DisplayDevice.h |
| VrmlDisplayDevice.C |
| VrmlDisplayDevice.h |
| WKFThreads.C |
| WKFThreads.h |
| WKFUtils.C |
| WKFUtils.h |
| Watershed.C |
| Watershed.h |
| WavefrontDisplayDevice.C |
| WavefrontDisplayDevice.h |
| Win32Joystick.C |
| Win32Joystick.h |
| Win32OpenGLDisplayDevice.C |
| Win32ftp.C |
| Win32ftp.h |
| X3DDisplayDevice.C |
| X3DDisplayDevice.h |
| androidvmdstart.C |
| androidvmdstart.h |
| c_compiler.c |
| c_compiler.h |
| cmd_animate.C |
| cmd_collab.C |
| cmd_color.C |
| cmd_display.C |
| cmd_imd.C |
| cmd_label.C |
| cmd_material.C |
| cmd_menu.C |
| cmd_mobile.C |
| cmd_mol.C |
| cmd_mouse.C |
| cmd_parallel.C |
| cmd_plugin.C |
| cmd_profile.C |
| cmd_render.C |
| cmd_spaceball.C |
| cmd_tool.C |
| cmd_trans.C |
| cmd_user.C |
| cmd_util.C |
| cmd_videostream.C |
| cmd_vmdbench.C |
| colvar.C |
| colvar.h |
| colvar_UIestimator.h |
| colvar_arithmeticpath.h |
| colvar_geometricpath.h |
| colvar_neuralnetworkcompute.C |
| colvar_neuralnetworkcompute.h |
| colvaratoms.C |
| colvaratoms.h |
| colvarbias.C |
| colvarbias.h |
| colvarbias_abf.C |
| colvarbias_abf.h |
| colvarbias_alb.C |
| colvarbias_alb.h |
| colvarbias_histogram.C |
| colvarbias_histogram.h |
| colvarbias_histogram_reweight_amd.C |
| colvarbias_histogram_reweight_amd.h |
| colvarbias_meta.C |
| colvarbias_meta.h |
| colvarbias_restraint.C |
| colvarbias_restraint.h |
| colvarcomp.C |
| colvarcomp.h |
| colvarcomp_alchlambda.C |
| colvarcomp_angles.C |
| colvarcomp_apath.C |
| colvarcomp_combination.C |
| colvarcomp_coordnums.C |
| colvarcomp_distances.C |
| colvarcomp_gpath.C |
| colvarcomp_neuralnetwork.C |
| colvarcomp_protein.C |
| colvarcomp_rotations.C |
| colvarcomp_volmaps.C |
| colvardeps.C |
| colvardeps.h |
| colvargrid.C |
| colvargrid.h |
| colvargrid_def.h |
| colvarmodule.C |
| colvarmodule.h |
| colvarmodule_refs.h |
| colvarmodule_utils.h |
| colvarparams.C |
| colvarparams.h |
| colvarparse.C |
| colvarparse.h |
| colvarproxy.C |
| colvarproxy.h |
| colvarproxy_io.C |
| colvarproxy_io.h |
| colvarproxy_replicas.C |
| colvarproxy_system.C |
| colvarproxy_system.h |
| colvarproxy_tcl.C |
| colvarproxy_tcl.h |
| colvarproxy_vmd.C |
| colvarproxy_vmd.h |
| colvarproxy_vmd_version.h |
| colvarproxy_volmaps.C |
| colvarproxy_volmaps.h |
| colvars_files.pl |
| colvars_version.h |
| colvarscript.C |
| colvarscript.h |
| colvarscript_commands.C |
| colvarscript_commands.h |
| colvarscript_commands_bias.C |
| colvarscript_commands_bias.h |
| colvarscript_commands_colvar.C |
| colvarscript_commands_colvar.h |
| colvartypes.C |
| colvartypes.h |
| colvarvalue.C |
| colvarvalue.h |
| fitrms.c |
| fitrms.h |
| forms_ui.fd |
| frame_selector.C |
| frame_selector.h |
| glwin.c |
| glwin.h |
| hash.c |
| hash.h |
| imd.C |
| imd.h |
| inthash.c |
| inthash.h |
| intstack.c |
| intstack.h |
| linenoise.c |
| linenoise.h |
| macosxvmdstart.C |
| macosxvmdstart.h |
| msmpot.c |
| msmpot.h |
| msmpot_compute.c |
| msmpot_cubic.c |
| msmpot_cuda.cu |
| msmpot_cuda.h |
| msmpot_cuda_latcut.cu |
| msmpot_cuda_shortrng.cu |
| msmpot_internal.h |
| msmpot_setup.c |
| nr_jacobi.C |
| nr_jacobi.h |
| pcre.c |
| pcre.h |
| pcreinternal.h |
| pcretables.h |
| ptrstack.c |
| ptrstack.h |
| py_animate.C |
| py_atomsel.C |
| py_axes.C |
| py_color.C |
| py_commands.C |
| py_commands.h |
| py_display.C |
| py_graphics.C |
| py_imd.C |
| py_label.C |
| py_material.C |
| py_measure.C |
| py_menu.C |
| py_molecule.C |
| py_molrep.C |
| py_mouse.C |
| py_numeric.C |
| py_render.C |
| py_selection.C |
| py_topo.C |
| py_trans.C |
| py_vmd.C |
| tcl_commands.C |
| tcl_commands.h |
| util_simd.C |
| util_simd_AVX.C |
| util_simd_AVX2.C |
| util_simd_NEON.C |
| util_simd_SVE.C |
| utilities.C |
| utilities.h |
| vmd.C |
| vmd.h |
| vmdconsole.c |
| vmdconsole.h |
| vmddlopen.c |
| vmddlopen.h |
| vmdfsinfo.c |
| vmdfsinfo.h |
| vmdmac.r |
| vmdmain.C |
| vmdsock.c |
| vmdsock.h |
| win32vmdstart.c |
| win32vmdstart.h |
| y.tab.h |