.github | |
► adjmat | |
► core | |
Action.h | |
ActionAnyorder.h | |
ActionAtomistic.h | |
ActionPilot.h | |
ActionRegister.h | |
ActionSet.h | |
ActionSetup.h | |
ActionShortcut.h | |
ActionWithArguments.h | |
ActionWithValue.h | |
ActionWithVirtualAtom.h | |
Atoms.h | |
CLTool.h | |
CLToolMain.h | |
CLToolRegister.h | |
Colvar.h | |
DataFetchingObject.h | |
ExchangePatterns.h | |
FlexibleBin.h | |
GenericMolInfo.h | |
GREX.h | |
MDAtoms.h | |
PlumedMain.h | |
PlumedMainInitializer.h | |
TargetDist.h | |
Value.h | |
WithCmd.h | |
► multicolvar | |
ActionVolume.h | |
AtomValuePack.h | |
BridgedMultiColvarFunction.h | |
CatomPack.h | |
MultiColvarBase.h | |
MultiColvarFilter.h | |
VolumeGradientBase.h | |
► tools | |
Angle.h | |
AtomNumber.h | |
BiasRepresentation.h | |
Brent1DRootSearch.h | |
Citations.h | |
Communicator.h | |
ConjugateGradient.h | |
DLLoader.h | |
DynamicList.h | |
ERMSD.h | |
Exception.h | |
File.h | |
FileBase.h | |
ForwardDecl.h | |
Grid.h | |
h36.h | |
HistogramBead.h | |
IFile.h | |
KernelFunctions.h | |
Keywords.h | |
LatticeReduction.h | |
LinkCells.h | |
Log.h | |
LoopUnroller.h | |
Matrix.h | |
MatrixSquareBracketsAccess.h | |
Minimise1DBrent.h | |
MinimiseBase.h | |
MolDataClass.h | |
MultiValue.h | |
NeighborList.h | |
OFile.h | |
OpenMP.h | |
Pbc.h | |
PDB.h | |
PlumedHandle.h | |
Random.h | |
RMSD.h | |
RootFindingBase.h | |
Stopwatch.h | |
Subprocess.h | |
SwitchingFunction.h | |
Tensor.h | |
Tools.h | |
Torsion.h | |
Tree.h | |
TypesafePtr.h | |
Units.h | |
Vector.h | |
► vesselbase | |
ActionWithAveraging.h | |
ActionWithInputVessel.h | |
ActionWithVessel.h | |
AveragingVessel.h | |
Between.h | |
BridgeVessel.h | |
FunctionVessel.h | |
LessThan.h | |
OrderingVessel.h | |
ShortcutVessel.h | |
StoreDataVessel.h | |
ValueVessel.h | |
Vessel.h | |
VesselRegister.h | |
ActionWithInputMatrix.cpp | |
ActionWithInputMatrix.h | |
AdjacencyMatrixBase.cpp | |
AdjacencyMatrixBase.h | |
AdjacencyMatrixVessel.cpp | |
AdjacencyMatrixVessel.h | |
AlignedMatrixBase.cpp | |
AlignedMatrixBase.h | |
ClusterAnalysisBase.cpp | |
ClusterAnalysisBase.h | |
ClusterDiameter.cpp | |
ClusterDistribution.cpp | |
ClusteringBase.cpp | |
ClusteringBase.h | |
ClusterProperties.cpp | |
ClusterSize.cpp | |
ClusterWithSurface.cpp | |
ContactAlignedMatrix.cpp | |
ContactMatrix.cpp | |
DFSClustering.cpp | |
DumpGraph.cpp | |
HbondMatrix.cpp | |
MatrixColumnSums.cpp | |
MatrixRowSums.cpp | |
OutputCluster.cpp | |
SMACMatrix.cpp | |
Sprint.cpp | |
TopologyMatrix.cpp | |
► analysis | |
► bias | |
ActionRegister.h | |
Bias.h | |
ReweightBase.h | |
► core | |
Action.h | |
ActionAnyorder.h | |
ActionAtomistic.h | |
ActionPilot.h | |
ActionRegister.h | |
ActionSet.h | |
ActionSetup.h | |
ActionShortcut.h | |
ActionWithArguments.h | |
ActionWithValue.h | |
ActionWithVirtualAtom.h | |
Atoms.h | |
CLTool.h | |
CLToolMain.h | |
CLToolRegister.h | |
Colvar.h | |
DataFetchingObject.h | |
ExchangePatterns.h | |
FlexibleBin.h | |
GenericMolInfo.h | |
GREX.h | |
MDAtoms.h | |
PlumedMain.h | |
PlumedMainInitializer.h | |
TargetDist.h | |
Value.h | |
WithCmd.h | |
► gridtools | |
ActionWithGrid.h | |
ActionWithInputGrid.h | |
ActionWithIntegral.h | |
AverageOnGrid.h | |
ContourFindingBase.h | |
GridPrintingBase.h | |
GridSearch.h | |
GridVessel.h | |
HistogramOnGrid.h | |
► multicolvar | |
ActionVolume.h | |
AtomValuePack.h | |
BridgedMultiColvarFunction.h | |
CatomPack.h | |
MultiColvarBase.h | |
MultiColvarFilter.h | |
VolumeGradientBase.h | |
► reference | |
ArgumentOnlyDistance.h | |
Direction.h | |
DRMSD.h | |
FakeFrame.h | |
MetricRegister.h | |
MultiDomainRMSD.h | |
ReferenceArguments.h | |
ReferenceAtoms.h | |
ReferenceConfiguration.h | |
ReferenceValuePack.h | |
RMSDBase.h | |
SingleDomainRMSD.h | |
► tools | |
Angle.h | |
AtomNumber.h | |
BiasRepresentation.h | |
Brent1DRootSearch.h | |
Citations.h | |
Communicator.h | |
ConjugateGradient.h | |
DLLoader.h | |
DynamicList.h | |
ERMSD.h | |
Exception.h | |
File.h | |
FileBase.h | |
ForwardDecl.h | |
Grid.h | |
h36.h | |
HistogramBead.h | |
IFile.h | |
KernelFunctions.h | |
Keywords.h | |
LatticeReduction.h | |
LinkCells.h | |
Log.h | |
LoopUnroller.h | |
Matrix.h | |
MatrixSquareBracketsAccess.h | |
Minimise1DBrent.h | |
MinimiseBase.h | |
MolDataClass.h | |
MultiValue.h | |
NeighborList.h | |
OFile.h | |
OpenMP.h | |
Pbc.h | |
PDB.h | |
PlumedHandle.h | |
Random.h | |
RMSD.h | |
RootFindingBase.h | |
Stopwatch.h | |
Subprocess.h | |
SwitchingFunction.h | |
Tensor.h | |
Tools.h | |
Torsion.h | |
Tree.h | |
TypesafePtr.h | |
Units.h | |
Vector.h | |
► vesselbase | |
ActionWithAveraging.h | |
ActionWithInputVessel.h | |
ActionWithVessel.h | |
AveragingVessel.h | |
Between.h | |
BridgeVessel.h | |
FunctionVessel.h | |
LessThan.h | |
OrderingVessel.h | |
ShortcutVessel.h | |
StoreDataVessel.h | |
ValueVessel.h | |
Vessel.h | |
VesselRegister.h | |
AnalysisBase.cpp | |
AnalysisBase.h | |
Average.cpp | |
AverageVessel.cpp | |
AverageVessel.h | |
Committor.cpp | |
DataCollectionObject.cpp | |
DataCollectionObject.h | |
EuclideanDissimilarityMatrix.cpp | |
FarthestPointSampling.cpp | |
Histogram.cpp | |
LandmarkSelectionBase.cpp | |
LandmarkSelectionBase.h | |
LandmarkStaged.cpp | |
OutputColvarFile.cpp | |
OutputPDBFile.cpp | |
PrintDissimilarityMatrix.cpp | |
ReadAnalysisFrames.cpp | |
ReadAnalysisFrames.h | |
ReadDissimilarityMatrix.cpp | |
ReselectLandmarks.cpp | |
SelectRandomFrames.cpp | |
SelectWithStride.cpp | |
WhamHistogram.cpp | |
WhamWeights.cpp | |
► annfunc | |
► core | |
Action.h | |
ActionAnyorder.h | |
ActionAtomistic.h | |
ActionPilot.h | |
ActionRegister.h | |
ActionSet.h | |
ActionSetup.h | |
ActionShortcut.h | |
ActionWithArguments.h | |
ActionWithValue.h | |
ActionWithVirtualAtom.h | |
Atoms.h | |
CLTool.h | |
CLToolMain.h | |
CLToolRegister.h | |
Colvar.h | |
DataFetchingObject.h | |
ExchangePatterns.h | |
FlexibleBin.h | |
GenericMolInfo.h | |
GREX.h | |
MDAtoms.h | |
PlumedMain.h | |
PlumedMainInitializer.h | |
TargetDist.h | |
Value.h | |
WithCmd.h | |
► function | |
ActionRegister.h | |
Function.h | |
ANN.cpp | |
► asmjit | |
arch.cpp | |
arch.h | |
arm.h | |
asmjit.h | |
asmjit_apibegin.h | |
asmjit_apiend.h | |
asmjit_build.h | |
assembler.cpp | |
assembler.h | |
base.h | |
codebuilder.cpp | |
codebuilder.h | |
codecompiler.cpp | |
codecompiler.h | |
codeemitter.cpp | |
codeemitter.h | |
codeholder.cpp | |
codeholder.h | |
constpool.cpp | |
constpool.h | |
cpuinfo.cpp | |
cpuinfo.h | |
func.cpp | |
func.h | |
globals.cpp | |
globals.h | |
inst.cpp | |
inst.h | |
logging.cpp | |
logging.h | |
misc_p.h | |
moved_string.h | |
operand.cpp | |
operand.h | |
osutils.cpp | |
osutils.h | |
regalloc.cpp | |
regalloc_p.h | |
runtime.cpp | |
runtime.h | |
simdtypes.h | |
string.cpp | |
utils.cpp | |
utils.h | |
vmem.cpp | |
vmem.h | |
x86.h | |
x86assembler.cpp | |
x86assembler.h | |
x86builder.cpp | |
x86builder.h | |
x86compiler.cpp | |
x86compiler.h | |
x86emitter.h | |
x86globals.h | |
x86inst.cpp | |
x86inst.h | |
x86instimpl.cpp | |
x86instimpl_p.h | |
x86internal.cpp | |
x86internal_p.h | |
x86logging.cpp | |
x86logging_p.h | |
x86misc.h | |
x86operand.cpp | |
x86operand.h | |
x86operand_regs.cpp | |
x86regalloc.cpp | |
x86regalloc_p.h | |
zone.cpp | |
zone.h | |
► bias | |
► core | |
Action.h | |
ActionAnyorder.h | |
ActionAtomistic.h | |
ActionPilot.h | |
ActionRegister.h | |
ActionSet.h | |
ActionSetup.h | |
ActionShortcut.h | |
ActionWithArguments.h | |
ActionWithValue.h | |
ActionWithVirtualAtom.h | |
Atoms.h | |
CLTool.h | |
CLToolMain.h | |
CLToolRegister.h | |
Colvar.h | |
DataFetchingObject.h | |
ExchangePatterns.h | |
FlexibleBin.h | |
GenericMolInfo.h | |
GREX.h | |
MDAtoms.h | |
PlumedMain.h | |
PlumedMainInitializer.h | |
TargetDist.h | |
Value.h | |
WithCmd.h | |
► tools | |
Angle.h | |
AtomNumber.h | |
BiasRepresentation.h | |
Brent1DRootSearch.h | |
Citations.h | |
Communicator.h | |
ConjugateGradient.h | |
DLLoader.h | |
DynamicList.h | |
ERMSD.h | |
Exception.h | |
File.h | |
FileBase.h | |
ForwardDecl.h | |
Grid.h | |
h36.h | |
HistogramBead.h | |
IFile.h | |
KernelFunctions.h | |
Keywords.h | |
LatticeReduction.h | |
LinkCells.h | |
Log.h | |
LoopUnroller.h | |
Matrix.h | |
MatrixSquareBracketsAccess.h | |
Minimise1DBrent.h | |
MinimiseBase.h | |
MolDataClass.h | |
MultiValue.h | |
NeighborList.h | |
OFile.h | |
OpenMP.h | |
Pbc.h | |
PDB.h | |
PlumedHandle.h | |
Random.h | |
RMSD.h | |
RootFindingBase.h | |
Stopwatch.h | |
Subprocess.h | |
SwitchingFunction.h | |
Tensor.h | |
Tools.h | |
Torsion.h | |
Tree.h | |
TypesafePtr.h | |
Units.h | |
Vector.h | |
ABMD.cpp | |
ActionRegister.h | |
Bias.cpp | |
Bias.h | |
BiasValue.cpp | |
ExtendedLagrangian.cpp | |
External.cpp | |
LWalls.cpp | |
MaxEnt.cpp | |
MetaD.cpp | |
MovingRestraint.cpp | |
PBMetaD.cpp | |
Restraint.cpp | |
ReweightBase.cpp | |
ReweightBase.h | |
ReweightBias.cpp | |
ReweightMetad.cpp | |
ReweightTemperaturePressure.cpp | |
ReweightWham.cpp | |
UWalls.cpp | |
► blas | |
blas.cpp | |
blas.h | |
def_external.h | |
def_internal.h | |
real.h | |
► cltools | |
► config | |
Config.h | |
version.h | |
► core | |
Action.h | |
ActionAnyorder.h | |
ActionAtomistic.h | |
ActionPilot.h | |
ActionRegister.h | |
ActionSet.h | |
ActionSetup.h | |
ActionShortcut.h | |
ActionWithArguments.h | |
ActionWithValue.h | |
ActionWithVirtualAtom.h | |
Atoms.h | |
CLTool.h | |
CLToolMain.h | |
CLToolRegister.h | |
Colvar.h | |
DataFetchingObject.h | |
ExchangePatterns.h | |
FlexibleBin.h | |
GenericMolInfo.h | |
GREX.h | |
MDAtoms.h | |
PlumedMain.h | |
PlumedMainInitializer.h | |
TargetDist.h | |
Value.h | |
WithCmd.h | |
► molfile | |
endianswap.h | |
fastio.h | |
Gromacs.h | |
largefiles.h | |
libmolfile_plugin.h | |
molfile_plugin.h | |
periodic_table.h | |
readpdb.h | |
vmdplugin.h | |
► tools | |
Angle.h | |
AtomNumber.h | |
BiasRepresentation.h | |
Brent1DRootSearch.h | |
Citations.h | |
Communicator.h | |
ConjugateGradient.h | |
DLLoader.h | |
DynamicList.h | |
ERMSD.h | |
Exception.h | |
File.h | |
FileBase.h | |
ForwardDecl.h | |
Grid.h | |
h36.h | |
HistogramBead.h | |
IFile.h | |
KernelFunctions.h | |
Keywords.h | |
LatticeReduction.h | |
LinkCells.h | |
Log.h | |
LoopUnroller.h | |
Matrix.h | |
MatrixSquareBracketsAccess.h | |
Minimise1DBrent.h | |
MinimiseBase.h | |
MolDataClass.h | |
MultiValue.h | |
NeighborList.h | |
OFile.h | |
OpenMP.h | |
Pbc.h | |
PDB.h | |
PlumedHandle.h | |
Random.h | |
RMSD.h | |
RootFindingBase.h | |
Stopwatch.h | |
Subprocess.h | |
SwitchingFunction.h | |
Tensor.h | |
Tools.h | |
Torsion.h | |
Tree.h | |
TypesafePtr.h | |
Units.h | |
Vector.h | |
► xdrfile | |
xdrfile.h | |
xdrfile_trr.h | |
xdrfile_xtc.h | |
CLTool.cpp | |
CLTool.h | |
CLToolRegister.h | |
Completion.cpp | |
Driver.cpp | |
DriverDouble.cpp | |
DriverFloat.cpp | |
GenExample.cpp | |
GenTemplate.cpp | |
Info.cpp | |
kT.cpp | |
Manual.cpp | |
PdbRenumber.cpp | |
pesmd.cpp | |
SimpleMD.cpp | |
SumHills.cpp | |
► colvar | |
► core | |
Action.h | |
ActionAnyorder.h | |
ActionAtomistic.h | |
ActionPilot.h | |
ActionRegister.h | |
ActionSet.h | |
ActionSetup.h | |
ActionShortcut.h | |
ActionWithArguments.h | |
ActionWithValue.h | |
ActionWithVirtualAtom.h | |
Atoms.h | |
CLTool.h | |
CLToolMain.h | |
CLToolRegister.h | |
Colvar.h | |
DataFetchingObject.h | |
ExchangePatterns.h | |
FlexibleBin.h | |
GenericMolInfo.h | |
GREX.h | |
MDAtoms.h | |
PlumedMain.h | |
PlumedMainInitializer.h | |
TargetDist.h | |
Value.h | |
WithCmd.h | |
► reference | |
ArgumentOnlyDistance.h | |
Direction.h | |
DRMSD.h | |
FakeFrame.h | |
MetricRegister.h | |
MultiDomainRMSD.h | |
ReferenceArguments.h | |
ReferenceAtoms.h | |
ReferenceConfiguration.h | |
ReferenceValuePack.h | |
RMSDBase.h | |
SingleDomainRMSD.h | |
► tools | |
Angle.h | |
AtomNumber.h | |
BiasRepresentation.h | |
Brent1DRootSearch.h | |
Citations.h | |
Communicator.h | |
ConjugateGradient.h | |
DLLoader.h | |
DynamicList.h | |
ERMSD.h | |
Exception.h | |
File.h | |
FileBase.h | |
ForwardDecl.h | |
Grid.h | |
h36.h | |
HistogramBead.h | |
IFile.h | |
KernelFunctions.h | |
Keywords.h | |
LatticeReduction.h | |
LinkCells.h | |
Log.h | |
LoopUnroller.h | |
Matrix.h | |
MatrixSquareBracketsAccess.h | |
Minimise1DBrent.h | |
MinimiseBase.h | |
MolDataClass.h | |
MultiValue.h | |
NeighborList.h | |
OFile.h | |
OpenMP.h | |
Pbc.h | |
PDB.h | |
PlumedHandle.h | |
Random.h | |
RMSD.h | |
RootFindingBase.h | |
Stopwatch.h | |
Subprocess.h | |
SwitchingFunction.h | |
Tensor.h | |
Tools.h | |
Torsion.h | |
Tree.h | |
TypesafePtr.h | |
Units.h | |
Vector.h | |
ActionRegister.h | |
Angle.cpp | |
Cell.cpp | |
Colvar.cpp | |
Colvar.h | |
Constant.cpp | |
ContactMap.cpp | |
Coordination.cpp | |
CoordinationBase.cpp | |
CoordinationBase.h | |
DHEnergy.cpp | |
Dimer.cpp | |
Dipole.cpp | |
Distance.cpp | |
DRMSD.cpp | |
EEFSolv.cpp | |
Energy.cpp | |
ERMSD.cpp | |
ExtraCV.cpp | |
Fake.cpp | |
GHBFIX.cpp | |
Gyration.cpp | |
MultiRMSD.cpp | |
PathMSD.cpp | |
PathMSDBase.cpp | |
PathMSDBase.h | |
PCARMSD.cpp | |
Position.cpp | |
ProjectionOnAxis.cpp | |
PropertyMap.cpp | |
Puckering.cpp | |
RMSD.cpp | |
Template.cpp | |
Torsion.cpp | |
Volume.cpp | |
► config | |
Config.cpp | |
Config.h | |
ConfigInstall.cpp | |
version.h | |
► core | |
► config | |
Config.h | |
version.h | |
► lepton | |
CompiledExpression.h | |
CustomFunction.h | |
Exception.h | |
ExpressionProgram.h | |
ExpressionTreeNode.h | |
Lepton.h | |
MSVC_erfc.h | |
Operation.h | |
ParsedExpression.h | |
Parser.h | |
windowsIncludes.h | |
► tools | |
Angle.h | |
AtomNumber.h | |
BiasRepresentation.h | |
Brent1DRootSearch.h | |
Citations.h | |
Communicator.h | |
ConjugateGradient.h | |
DLLoader.h | |
DynamicList.h | |
ERMSD.h | |
Exception.h | |
File.h | |
FileBase.h | |
ForwardDecl.h | |
Grid.h | |
h36.h | |
HistogramBead.h | |
IFile.h | |
KernelFunctions.h | |
Keywords.h | |
LatticeReduction.h | |
LinkCells.h | |
Log.h | |
LoopUnroller.h | |
Matrix.h | |
MatrixSquareBracketsAccess.h | |
Minimise1DBrent.h | |
MinimiseBase.h | |
MolDataClass.h | |
MultiValue.h | |
NeighborList.h | |
OFile.h | |
OpenMP.h | |
Pbc.h | |
PDB.h | |
PlumedHandle.h | |
Random.h | |
RMSD.h | |
RootFindingBase.h | |
Stopwatch.h | |
Subprocess.h | |
SwitchingFunction.h | |
Tensor.h | |
Tools.h | |
Torsion.h | |
Tree.h | |
TypesafePtr.h | |
Units.h | |
Vector.h | |
Action.cpp | |
Action.h | |
ActionAnyorder.cpp | |
ActionAnyorder.h | |
ActionAtomistic.cpp | |
ActionAtomistic.h | |
ActionPilot.cpp | |
ActionPilot.h | |
ActionRegister.cpp | |
ActionRegister.h | |
ActionSet.cpp | |
ActionSet.h | |
ActionSetup.cpp | |
ActionSetup.h | |
ActionShortcut.cpp | |
ActionShortcut.h | |
ActionWithArguments.cpp | |
ActionWithArguments.h | |
ActionWithValue.cpp | |
ActionWithValue.h | |
ActionWithVirtualAtom.cpp | |
ActionWithVirtualAtom.h | |
Atoms.cpp | |
Atoms.h | |
CLTool.cpp | |
CLTool.h | |
CLToolMain.cpp | |
CLToolMain.h | |
CLToolRegister.cpp | |
CLToolRegister.h | |
Colvar.cpp | |
Colvar.h | |
DataFetchingObject.cpp | |
DataFetchingObject.h | |
ExchangePatterns.cpp | |
ExchangePatterns.h | |
FlexibleBin.cpp | |
FlexibleBin.h | |
GenericMolInfo.cpp | |
GenericMolInfo.h | |
GREX.cpp | |
GREX.h | |
MDAtoms.cpp | |
MDAtoms.h | |
PlumedMain.cpp | |
PlumedMain.h | |
PlumedMainInitializer.cpp | |
PlumedMainInitializer.h | |
TargetDist.cpp | |
TargetDist.h | |
Value.cpp | |
Value.h | |
WithCmd.cpp | |
WithCmd.h | |
► crystallization | |
► core | |
Action.h | |
ActionAnyorder.h | |
ActionAtomistic.h | |
ActionPilot.h | |
ActionRegister.h | |
ActionSet.h | |
ActionSetup.h | |
ActionShortcut.h | |
ActionWithArguments.h | |
ActionWithValue.h | |
ActionWithVirtualAtom.h | |
Atoms.h | |
CLTool.h | |
CLToolMain.h | |
CLToolRegister.h | |
Colvar.h | |
DataFetchingObject.h | |
ExchangePatterns.h | |
FlexibleBin.h | |
GenericMolInfo.h | |
GREX.h | |
MDAtoms.h | |
PlumedMain.h | |
PlumedMainInitializer.h | |
TargetDist.h | |
Value.h | |
WithCmd.h | |
► multicolvar | |
ActionVolume.h | |
AtomValuePack.h | |
BridgedMultiColvarFunction.h | |
CatomPack.h | |
MultiColvarBase.h | |
MultiColvarFilter.h | |
VolumeGradientBase.h | |
► tools | |
Angle.h | |
AtomNumber.h | |
BiasRepresentation.h | |
Brent1DRootSearch.h | |
Citations.h | |
Communicator.h | |
ConjugateGradient.h | |
DLLoader.h | |
DynamicList.h | |
ERMSD.h | |
Exception.h | |
File.h | |
FileBase.h | |
ForwardDecl.h | |
Grid.h | |
h36.h | |
HistogramBead.h | |
IFile.h | |
KernelFunctions.h | |
Keywords.h | |
LatticeReduction.h | |
LinkCells.h | |
Log.h | |
LoopUnroller.h | |
Matrix.h | |
MatrixSquareBracketsAccess.h | |
Minimise1DBrent.h | |
MinimiseBase.h | |
MolDataClass.h | |
MultiValue.h | |
NeighborList.h | |
OFile.h | |
OpenMP.h | |
Pbc.h | |
PDB.h | |
PlumedHandle.h | |
Random.h | |
RMSD.h | |
RootFindingBase.h | |
Stopwatch.h | |
Subprocess.h | |
SwitchingFunction.h | |
Tensor.h | |
Tools.h | |
Torsion.h | |
Tree.h | |
TypesafePtr.h | |
Units.h | |
Vector.h | |
► vesselbase | |
ActionWithAveraging.h | |
ActionWithInputVessel.h | |
ActionWithVessel.h | |
AveragingVessel.h | |
Between.h | |
BridgeVessel.h | |
FunctionVessel.h | |
LessThan.h | |
OrderingVessel.h | |
ShortcutVessel.h | |
StoreDataVessel.h | |
ValueVessel.h | |
Vessel.h | |
VesselRegister.h | |
BondOrientation.cpp | |
CubicHarmonicBase.cpp | |
CubicHarmonicBase.h | |
EnvironmentSimilarity.cpp | |
Fccubic.cpp | |
Gradient.cpp | |
Gradient.h | |
GradientVessel.cpp | |
InterMolecularTorsions.cpp | |
LocalSteinhardt.cpp | |
LocalSteinhardt.h | |
MoleculeOrientation.cpp | |
MoleculePlane.cpp | |
OrientationSphere.cpp | |
OrientationSphere.h | |
PolymerAngles.cpp | |
Q3.cpp | |
Q4.cpp | |
Q6.cpp | |
SimpleCubic.cpp | |
SMAC.cpp | |
Steinhardt.cpp | |
Steinhardt.h | |
Tetrahedral.cpp | |
VectorMean.cpp | |
VectorMultiColvar.cpp | |
VectorMultiColvar.h | |
VectorSum.cpp | |
developer-doc | |
► dimred | |
► analysis | |
AnalysisBase.h | |
AverageVessel.h | |
DataCollectionObject.h | |
LandmarkSelectionBase.h | |
ReadAnalysisFrames.h | |
► core | |
Action.h | |
ActionAnyorder.h | |
ActionAtomistic.h | |
ActionPilot.h | |
ActionRegister.h | |
ActionSet.h | |
ActionSetup.h | |
ActionShortcut.h | |
ActionWithArguments.h | |
ActionWithValue.h | |
ActionWithVirtualAtom.h | |
Atoms.h | |
CLTool.h | |
CLToolMain.h | |
CLToolRegister.h | |
Colvar.h | |
DataFetchingObject.h | |
ExchangePatterns.h | |
FlexibleBin.h | |
GenericMolInfo.h | |
GREX.h | |
MDAtoms.h | |
PlumedMain.h | |
PlumedMainInitializer.h | |
TargetDist.h | |
Value.h | |
WithCmd.h | |
► gridtools | |
ActionWithGrid.h | |
ActionWithInputGrid.h | |
ActionWithIntegral.h | |
AverageOnGrid.h | |
ContourFindingBase.h | |
GridPrintingBase.h | |
GridSearch.h | |
GridVessel.h | |
HistogramOnGrid.h | |
► reference | |
ArgumentOnlyDistance.h | |
Direction.h | |
DRMSD.h | |
FakeFrame.h | |
MetricRegister.h | |
MultiDomainRMSD.h | |
ReferenceArguments.h | |
ReferenceAtoms.h | |
ReferenceConfiguration.h | |
ReferenceValuePack.h | |
RMSDBase.h | |
SingleDomainRMSD.h | |
► tools | |
Angle.h | |
AtomNumber.h | |
BiasRepresentation.h | |
Brent1DRootSearch.h | |
Citations.h | |
Communicator.h | |
ConjugateGradient.h | |
DLLoader.h | |
DynamicList.h | |
ERMSD.h | |
Exception.h | |
File.h | |
FileBase.h | |
ForwardDecl.h | |
Grid.h | |
h36.h | |
HistogramBead.h | |
IFile.h | |
KernelFunctions.h | |
Keywords.h | |
LatticeReduction.h | |
LinkCells.h | |
Log.h | |
LoopUnroller.h | |
Matrix.h | |
MatrixSquareBracketsAccess.h | |
Minimise1DBrent.h | |
MinimiseBase.h | |
MolDataClass.h | |
MultiValue.h | |
NeighborList.h | |
OFile.h | |
OpenMP.h | |
Pbc.h | |
PDB.h | |
PlumedHandle.h | |
Random.h | |
RMSD.h | |
RootFindingBase.h | |
Stopwatch.h | |
Subprocess.h | |
SwitchingFunction.h | |
Tensor.h | |
Tools.h | |
Torsion.h | |
Tree.h | |
TypesafePtr.h | |
Units.h | |
Vector.h | |
ClassicalMultiDimensionalScaling.cpp | |
DimensionalityReductionBase.cpp | |
DimensionalityReductionBase.h | |
OutputPCAProjections.cpp | |
PCA.cpp | |
PCA.h | |
ProjectNonLandmarkPoints.cpp | |
SketchMap.cpp | |
SketchMapBase.cpp | |
SketchMapBase.h | |
SketchMapConjGrad.cpp | |
SketchMapPointwise.cpp | |
SketchMapRead.cpp | |
SketchMapSmacof.cpp | |
SMACOF.cpp | |
SMACOF.h | |
SmacoffMDS.cpp | |
► drr | |
► bias | |
ActionRegister.h | |
Bias.h | |
ReweightBase.h | |
► cltools | |
CLTool.h | |
CLToolRegister.h | |
► config | |
Config.h | |
version.h | |
► core | |
Action.h | |
ActionAnyorder.h | |
ActionAtomistic.h | |
ActionPilot.h | |
ActionRegister.h | |
ActionSet.h | |
ActionSetup.h | |
ActionShortcut.h | |
ActionWithArguments.h | |
ActionWithValue.h | |
ActionWithVirtualAtom.h | |
Atoms.h | |
CLTool.h | |
CLToolMain.h | |
CLToolRegister.h | |
Colvar.h | |
DataFetchingObject.h | |
ExchangePatterns.h | |
FlexibleBin.h | |
GenericMolInfo.h | |
GREX.h | |
MDAtoms.h | |
PlumedMain.h | |
PlumedMainInitializer.h | |
TargetDist.h | |
Value.h | |
WithCmd.h | |
► tools | |
Angle.h | |
AtomNumber.h | |
BiasRepresentation.h | |
Brent1DRootSearch.h | |
Citations.h | |
Communicator.h | |
ConjugateGradient.h | |
DLLoader.h | |
DynamicList.h | |
ERMSD.h | |
Exception.h | |
File.h | |
FileBase.h | |
ForwardDecl.h | |
Grid.h | |
h36.h | |
HistogramBead.h | |
IFile.h | |
KernelFunctions.h | |
Keywords.h | |
LatticeReduction.h | |
LinkCells.h | |
Log.h | |
LoopUnroller.h | |
Matrix.h | |
MatrixSquareBracketsAccess.h | |
Minimise1DBrent.h | |
MinimiseBase.h | |
MolDataClass.h | |
MultiValue.h | |
NeighborList.h | |
OFile.h | |
OpenMP.h | |
Pbc.h | |
PDB.h | |
PlumedHandle.h | |
Random.h | |
RMSD.h | |
RootFindingBase.h | |
Stopwatch.h | |
Subprocess.h | |
SwitchingFunction.h | |
Tensor.h | |
Tools.h | |
Torsion.h | |
Tree.h | |
TypesafePtr.h | |
Units.h | |
Vector.h | |
colvar_UIestimator.cpp | |
colvar_UIestimator.h | |
DRR.cpp | |
DRR.h | |
drrtool.cpp | |
DynamicReferenceRestraining.cpp | |
► eds | |
► bias | |
ActionRegister.h | |
Bias.h | |
ReweightBase.h | |
► core | |
Action.h | |
ActionAnyorder.h | |
ActionAtomistic.h | |
ActionPilot.h | |
ActionRegister.h | |
ActionSet.h | |
ActionSetup.h | |
ActionShortcut.h | |
ActionWithArguments.h | |
ActionWithValue.h | |
ActionWithVirtualAtom.h | |
Atoms.h | |
CLTool.h | |
CLToolMain.h | |
CLToolRegister.h | |
Colvar.h | |
DataFetchingObject.h | |
ExchangePatterns.h | |
FlexibleBin.h | |
GenericMolInfo.h | |
GREX.h | |
MDAtoms.h | |
PlumedMain.h | |
PlumedMainInitializer.h | |
TargetDist.h | |
Value.h | |
WithCmd.h | |
► tools | |
Angle.h | |
AtomNumber.h | |
BiasRepresentation.h | |
Brent1DRootSearch.h | |
Citations.h | |
Communicator.h | |
ConjugateGradient.h | |
DLLoader.h | |
DynamicList.h | |
ERMSD.h | |
Exception.h | |
File.h | |
FileBase.h | |
ForwardDecl.h | |
Grid.h | |
h36.h | |
HistogramBead.h | |
IFile.h | |
KernelFunctions.h | |
Keywords.h | |
LatticeReduction.h | |
LinkCells.h | |
Log.h | |
LoopUnroller.h | |
Matrix.h | |
MatrixSquareBracketsAccess.h | |
Minimise1DBrent.h | |
MinimiseBase.h | |
MolDataClass.h | |
MultiValue.h | |
NeighborList.h | |
OFile.h | |
OpenMP.h | |
Pbc.h | |
PDB.h | |
PlumedHandle.h | |
Random.h | |
RMSD.h | |
RootFindingBase.h | |
Stopwatch.h | |
Subprocess.h | |
SwitchingFunction.h | |
Tensor.h | |
Tools.h | |
Torsion.h | |
Tree.h | |
TypesafePtr.h | |
Units.h | |
Vector.h | |
EDS.cpp | |
► fisst | |
► bias | |
ActionRegister.h | |
Bias.h | |
ReweightBase.h | |
► core | |
Action.h | |
ActionAnyorder.h | |
ActionAtomistic.h | |
ActionPilot.h | |
ActionRegister.h | |
ActionSet.h | |
ActionSetup.h | |
ActionShortcut.h | |
ActionWithArguments.h | |
ActionWithValue.h | |
ActionWithVirtualAtom.h | |
Atoms.h | |
CLTool.h | |
CLToolMain.h | |
CLToolRegister.h | |
Colvar.h | |
DataFetchingObject.h | |
ExchangePatterns.h | |
FlexibleBin.h | |
GenericMolInfo.h | |
GREX.h | |
MDAtoms.h | |
PlumedMain.h | |
PlumedMainInitializer.h | |
TargetDist.h | |
Value.h | |
WithCmd.h | |
► tools | |
Angle.h | |
AtomNumber.h | |
BiasRepresentation.h | |
Brent1DRootSearch.h | |
Citations.h | |
Communicator.h | |
ConjugateGradient.h | |
DLLoader.h | |
DynamicList.h | |
ERMSD.h | |
Exception.h | |
File.h | |
FileBase.h | |
ForwardDecl.h | |
Grid.h | |
h36.h | |
HistogramBead.h | |
IFile.h | |
KernelFunctions.h | |
Keywords.h | |
LatticeReduction.h | |
LinkCells.h | |
Log.h | |
LoopUnroller.h | |
Matrix.h | |
MatrixSquareBracketsAccess.h | |
Minimise1DBrent.h | |
MinimiseBase.h | |
MolDataClass.h | |
MultiValue.h | |
NeighborList.h | |
OFile.h | |
OpenMP.h | |
Pbc.h | |
PDB.h | |
PlumedHandle.h | |
Random.h | |
RMSD.h | |
RootFindingBase.h | |
Stopwatch.h | |
Subprocess.h | |
SwitchingFunction.h | |
Tensor.h | |
Tools.h | |
Torsion.h | |
Tree.h | |
TypesafePtr.h | |
Units.h | |
Vector.h | |
FISST.cpp | |
legendre_rule_fast.cpp | |
legendre_rule_fast.h | |
► function | |
► core | |
Action.h | |
ActionAnyorder.h | |
ActionAtomistic.h | |
ActionPilot.h | |
ActionRegister.h | |
ActionSet.h | |
ActionSetup.h | |
ActionShortcut.h | |
ActionWithArguments.h | |
ActionWithValue.h | |
ActionWithVirtualAtom.h | |
Atoms.h | |
CLTool.h | |
CLToolMain.h | |
CLToolRegister.h | |
Colvar.h | |
DataFetchingObject.h | |
ExchangePatterns.h | |
FlexibleBin.h | |
GenericMolInfo.h | |
GREX.h | |
MDAtoms.h | |
PlumedMain.h | |
PlumedMainInitializer.h | |
TargetDist.h | |
Value.h | |
WithCmd.h | |
► lepton | |
CompiledExpression.h | |
CustomFunction.h | |
Exception.h | |
ExpressionProgram.h | |
ExpressionTreeNode.h | |
Lepton.h | |
MSVC_erfc.h | |
Operation.h | |
ParsedExpression.h | |
Parser.h | |
windowsIncludes.h | |
► reference | |
ArgumentOnlyDistance.h | |
Direction.h | |
DRMSD.h | |
FakeFrame.h | |
MetricRegister.h | |
MultiDomainRMSD.h | |
ReferenceArguments.h | |
ReferenceAtoms.h | |
ReferenceConfiguration.h | |
ReferenceValuePack.h | |
RMSDBase.h | |
SingleDomainRMSD.h | |
► tools | |
Angle.h | |
AtomNumber.h | |
BiasRepresentation.h | |
Brent1DRootSearch.h | |
Citations.h | |
Communicator.h | |
ConjugateGradient.h | |
DLLoader.h | |
DynamicList.h | |
ERMSD.h | |
Exception.h | |
File.h | |
FileBase.h | |
ForwardDecl.h | |
Grid.h | |
h36.h | |
HistogramBead.h | |
IFile.h | |
KernelFunctions.h | |
Keywords.h | |
LatticeReduction.h | |
LinkCells.h | |
Log.h | |
LoopUnroller.h | |
Matrix.h | |
MatrixSquareBracketsAccess.h | |
Minimise1DBrent.h | |
MinimiseBase.h | |
MolDataClass.h | |
MultiValue.h | |
NeighborList.h | |
OFile.h | |
OpenMP.h | |
Pbc.h | |
PDB.h | |
PlumedHandle.h | |
Random.h | |
RMSD.h | |
RootFindingBase.h | |
Stopwatch.h | |
Subprocess.h | |
SwitchingFunction.h | |
Tensor.h | |
Tools.h | |
Torsion.h | |
Tree.h | |
TypesafePtr.h | |
Units.h | |
Vector.h | |
ActionRegister.h | |
Combine.cpp | |
Custom.cpp | |
Ensemble.cpp | |
FuncPathGeneral.cpp | |
FuncPathMSD.cpp | |
FuncSumHills.cpp | |
Function.cpp | |
Function.h | |
LocalEnsemble.cpp | |
Piecewise.cpp | |
Sort.cpp | |
Stats.cpp | |
Target.cpp | |
► funnel | |
► bias | |
ActionRegister.h | |
Bias.h | |
ReweightBase.h | |
► colvar | |
ActionRegister.h | |
Colvar.h | |
CoordinationBase.h | |
PathMSDBase.h | |
► core | |
Action.h | |
ActionAnyorder.h | |
ActionAtomistic.h | |
ActionPilot.h | |
ActionRegister.h | |
ActionSet.h | |
ActionSetup.h | |
ActionShortcut.h | |
ActionWithArguments.h | |
ActionWithValue.h | |
ActionWithVirtualAtom.h | |
Atoms.h | |
CLTool.h | |
CLToolMain.h | |
CLToolRegister.h | |
Colvar.h | |
DataFetchingObject.h | |
ExchangePatterns.h | |
FlexibleBin.h | |
GenericMolInfo.h | |
GREX.h | |
MDAtoms.h | |
PlumedMain.h | |
PlumedMainInitializer.h | |
TargetDist.h | |
Value.h | |
WithCmd.h | |
► tools | |
Angle.h | |
AtomNumber.h | |
BiasRepresentation.h | |
Brent1DRootSearch.h | |
Citations.h | |
Communicator.h | |
ConjugateGradient.h | |
DLLoader.h | |
DynamicList.h | |
ERMSD.h | |
Exception.h | |
File.h | |
FileBase.h | |
ForwardDecl.h | |
Grid.h | |
h36.h | |
HistogramBead.h | |
IFile.h | |
KernelFunctions.h | |
Keywords.h | |
LatticeReduction.h | |
LinkCells.h | |
Log.h | |
LoopUnroller.h | |
Matrix.h | |
MatrixSquareBracketsAccess.h | |
Minimise1DBrent.h | |
MinimiseBase.h | |
MolDataClass.h | |
MultiValue.h | |
NeighborList.h | |
OFile.h | |
OpenMP.h | |
Pbc.h | |
PDB.h | |
PlumedHandle.h | |
Random.h | |
RMSD.h | |
RootFindingBase.h | |
Stopwatch.h | |
Subprocess.h | |
SwitchingFunction.h | |
Tensor.h | |
Tools.h | |
Torsion.h | |
Tree.h | |
TypesafePtr.h | |
Units.h | |
Vector.h | |
FPS.cpp | |
Funnel.cpp | |
► generic | |
► core | |
Action.h | |
ActionAnyorder.h | |
ActionAtomistic.h | |
ActionPilot.h | |
ActionRegister.h | |
ActionSet.h | |
ActionSetup.h | |
ActionShortcut.h | |
ActionWithArguments.h | |
ActionWithValue.h | |
ActionWithVirtualAtom.h | |
Atoms.h | |
CLTool.h | |
CLToolMain.h | |
CLToolRegister.h | |
Colvar.h | |
DataFetchingObject.h | |
ExchangePatterns.h | |
FlexibleBin.h | |
GenericMolInfo.h | |
GREX.h | |
MDAtoms.h | |
PlumedMain.h | |
PlumedMainInitializer.h | |
TargetDist.h | |
Value.h | |
WithCmd.h | |
► tools | |
Angle.h | |
AtomNumber.h | |
BiasRepresentation.h | |
Brent1DRootSearch.h | |
Citations.h | |
Communicator.h | |
ConjugateGradient.h | |
DLLoader.h | |
DynamicList.h | |
ERMSD.h | |
Exception.h | |
File.h | |
FileBase.h | |
ForwardDecl.h | |
Grid.h | |
h36.h | |
HistogramBead.h | |
IFile.h | |
KernelFunctions.h | |
Keywords.h | |
LatticeReduction.h | |
LinkCells.h | |
Log.h | |
LoopUnroller.h | |
Matrix.h | |
MatrixSquareBracketsAccess.h | |
Minimise1DBrent.h | |
MinimiseBase.h | |
MolDataClass.h | |
MultiValue.h | |
NeighborList.h | |
OFile.h | |
OpenMP.h | |
Pbc.h | |
PDB.h | |
PlumedHandle.h | |
Random.h | |
RMSD.h | |
RootFindingBase.h | |
Stopwatch.h | |
Subprocess.h | |
SwitchingFunction.h | |
Tensor.h | |
Tools.h | |
Torsion.h | |
Tree.h | |
TypesafePtr.h | |
Units.h | |
Vector.h | |
► xdrfile | |
xdrfile.h | |
xdrfile_trr.h | |
xdrfile_xtc.h | |
Debug.cpp | |
DumpAtoms.cpp | |
DumpDerivatives.cpp | |
DumpForces.cpp | |
DumpMassCharge.cpp | |
DumpProjections.cpp | |
EffectiveEnergyDrift.cpp | |
EndPlumed.cpp | |
FitToTemplate.cpp | |
Flush.cpp | |
Group.cpp | |
Include.cpp | |
MolInfo.cpp | |
Plumed.cpp | |
Print.cpp | |
RandomExchanges.cpp | |
Read.cpp | |
ResetCell.cpp | |
Time.cpp | |
UpdateIf.cpp | |
WholeMolecules.cpp | |
WrapAround.cpp | |
► gridtools | |
► core | |
Action.h | |
ActionAnyorder.h | |
ActionAtomistic.h | |
ActionPilot.h | |
ActionRegister.h | |
ActionSet.h | |
ActionSetup.h | |
ActionShortcut.h | |
ActionWithArguments.h | |
ActionWithValue.h | |
ActionWithVirtualAtom.h | |
Atoms.h | |
CLTool.h | |
CLToolMain.h | |
CLToolRegister.h | |
Colvar.h | |
DataFetchingObject.h | |
ExchangePatterns.h | |
FlexibleBin.h | |
GenericMolInfo.h | |
GREX.h | |
MDAtoms.h | |
PlumedMain.h | |
PlumedMainInitializer.h | |
TargetDist.h | |
Value.h | |
WithCmd.h | |
► tools | |
Angle.h | |
AtomNumber.h | |
BiasRepresentation.h | |
Brent1DRootSearch.h | |
Citations.h | |
Communicator.h | |
ConjugateGradient.h | |
DLLoader.h | |
DynamicList.h | |
ERMSD.h | |
Exception.h | |
File.h | |
FileBase.h | |
ForwardDecl.h | |
Grid.h | |
h36.h | |
HistogramBead.h | |
IFile.h | |
KernelFunctions.h | |
Keywords.h | |
LatticeReduction.h | |
LinkCells.h | |
Log.h | |
LoopUnroller.h | |
Matrix.h | |
MatrixSquareBracketsAccess.h | |
Minimise1DBrent.h | |
MinimiseBase.h | |
MolDataClass.h | |
MultiValue.h | |
NeighborList.h | |
OFile.h | |
OpenMP.h | |
Pbc.h | |
PDB.h | |
PlumedHandle.h | |
Random.h | |
RMSD.h | |
RootFindingBase.h | |
Stopwatch.h | |
Subprocess.h | |
SwitchingFunction.h | |
Tensor.h | |
Tools.h | |
Torsion.h | |
Tree.h | |
TypesafePtr.h | |
Units.h | |
Vector.h | |
► vesselbase | |
ActionWithAveraging.h | |
ActionWithInputVessel.h | |
ActionWithVessel.h | |
AveragingVessel.h | |
Between.h | |
BridgeVessel.h | |
FunctionVessel.h | |
LessThan.h | |
OrderingVessel.h | |
ShortcutVessel.h | |
StoreDataVessel.h | |
ValueVessel.h | |
Vessel.h | |
VesselRegister.h | |
ActionWithGrid.cpp | |
ActionWithGrid.h | |
ActionWithInputGrid.cpp | |
ActionWithInputGrid.h | |
ActionWithIntegral.cpp | |
ActionWithIntegral.h | |
AverageOnGrid.cpp | |
AverageOnGrid.h | |
ContourFindingBase.cpp | |
ContourFindingBase.h | |
ConvertToFES.cpp | |
DumpCube.cpp | |
DumpGrid.cpp | |
FindContour.cpp | |
FindContourSurface.cpp | |
FindSphericalContour.cpp | |
FourierTransform.cpp | |
GridPrintingBase.cpp | |
GridPrintingBase.h | |
GridSearch.cpp | |
GridSearch.h | |
GridToXYZ.cpp | |
GridVessel.cpp | |
GridVessel.h | |
HistogramOnGrid.cpp | |
HistogramOnGrid.h | |
IntegrateGrid.cpp | |
InterpolateGrid.cpp | |
► isdb | |
► bias | |
ActionRegister.h | |
Bias.h | |
ReweightBase.h | |
► colvar | |
ActionRegister.h | |
Colvar.h | |
CoordinationBase.h | |
PathMSDBase.h | |
► core | |
Action.h | |
ActionAnyorder.h | |
ActionAtomistic.h | |
ActionPilot.h | |
ActionRegister.h | |
ActionSet.h | |
ActionSetup.h | |
ActionShortcut.h | |
ActionWithArguments.h | |
ActionWithValue.h | |
ActionWithVirtualAtom.h | |
Atoms.h | |
CLTool.h | |
CLToolMain.h | |
CLToolRegister.h | |
Colvar.h | |
DataFetchingObject.h | |
ExchangePatterns.h | |
FlexibleBin.h | |
GenericMolInfo.h | |
GREX.h | |
MDAtoms.h | |
PlumedMain.h | |
PlumedMainInitializer.h | |
TargetDist.h | |
Value.h | |
WithCmd.h | |
► function | |
ActionRegister.h | |
Function.h | |
► tools | |
Angle.h | |
AtomNumber.h | |
BiasRepresentation.h | |
Brent1DRootSearch.h | |
Citations.h | |
Communicator.h | |
ConjugateGradient.h | |
DLLoader.h | |
DynamicList.h | |
ERMSD.h | |
Exception.h | |
File.h | |
FileBase.h | |
ForwardDecl.h | |
Grid.h | |
h36.h | |
HistogramBead.h | |
IFile.h | |
KernelFunctions.h | |
Keywords.h | |
LatticeReduction.h | |
LinkCells.h | |
Log.h | |
LoopUnroller.h | |
Matrix.h | |
MatrixSquareBracketsAccess.h | |
Minimise1DBrent.h | |
MinimiseBase.h | |
MolDataClass.h | |
MultiValue.h | |
NeighborList.h | |
OFile.h | |
OpenMP.h | |
Pbc.h | |
PDB.h | |
PlumedHandle.h | |
Random.h | |
RMSD.h | |
RootFindingBase.h | |
Stopwatch.h | |
Subprocess.h | |
SwitchingFunction.h | |
Tensor.h | |
Tools.h | |
Torsion.h | |
Tree.h | |
TypesafePtr.h | |
Units.h | |
Vector.h | |
Caliber.cpp | |
CS2Backbone.cpp | |
EMMI.cpp | |
FretEfficiency.cpp | |
Jcoupling.cpp | |
Metainference.cpp | |
MetainferenceBase.cpp | |
MetainferenceBase.h | |
NOE.cpp | |
PRE.cpp | |
RDC.cpp | |
Rescale.cpp | |
SAXS.cpp | |
Select.cpp | |
Selector.cpp | |
► lapack | |
► blas | |
blas.h | |
def_external.h | |
def_internal.h | |
real.h | |
def_external.h | |
def_internal.h | |
lapack.cpp | |
lapack.h | |
lapack_limits.h | |
real.h | |
► lepton | |
► asmjit | |
arch.h | |
arm.h | |
asmjit.h | |
asmjit_apibegin.h | |
asmjit_apiend.h | |
asmjit_build.h | |
assembler.h | |
base.h | |
codebuilder.h | |
codecompiler.h | |
codeemitter.h | |
codeholder.h | |
constpool.h | |
cpuinfo.h | |
func.h | |
globals.h | |
inst.h | |
logging.h | |
misc_p.h | |
moved_string.h | |
operand.h | |
osutils.h | |
regalloc_p.h | |
runtime.h | |
simdtypes.h | |
utils.h | |
vmem.h | |
x86.h | |
x86assembler.h | |
x86builder.h | |
x86compiler.h | |
x86emitter.h | |
x86globals.h | |
x86inst.h | |
x86instimpl_p.h | |
x86internal_p.h | |
x86logging_p.h | |
x86misc.h | |
x86operand.h | |
x86regalloc_p.h | |
zone.h | |
CompiledExpression.cpp | |
CompiledExpression.h | |
CustomFunction.h | |
Exception.h | |
ExpressionProgram.cpp | |
ExpressionProgram.h | |
ExpressionTreeNode.cpp | |
ExpressionTreeNode.h | |
Lepton.h | |
MSVC_erfc.h | |
Operation.cpp | |
Operation.h | |
ParsedExpression.cpp | |
ParsedExpression.h | |
Parser.cpp | |
Parser.h | |
windowsIncludes.h | |
► logmfd | |
► bias | |
ActionRegister.h | |
Bias.h | |
ReweightBase.h | |
► core | |
Action.h | |
ActionAnyorder.h | |
ActionAtomistic.h | |
ActionPilot.h | |
ActionRegister.h | |
ActionSet.h | |
ActionSetup.h | |
ActionShortcut.h | |
ActionWithArguments.h | |
ActionWithValue.h | |
ActionWithVirtualAtom.h | |
Atoms.h | |
CLTool.h | |
CLToolMain.h | |
CLToolRegister.h | |
Colvar.h | |
DataFetchingObject.h | |
ExchangePatterns.h | |
FlexibleBin.h | |
GenericMolInfo.h | |
GREX.h | |
MDAtoms.h | |
PlumedMain.h | |
PlumedMainInitializer.h | |
TargetDist.h | |
Value.h | |
WithCmd.h | |
LogMFD.cpp | |
► main | |
► wrapper | |
Plumed.h | |
main.cpp | |
► manyrestraints | |
► core | |
Action.h | |
ActionAnyorder.h | |
ActionAtomistic.h | |
ActionPilot.h | |
ActionRegister.h | |
ActionSet.h | |
ActionSetup.h | |
ActionShortcut.h | |
ActionWithArguments.h | |
ActionWithValue.h | |
ActionWithVirtualAtom.h | |
Atoms.h | |
CLTool.h | |
CLToolMain.h | |
CLToolRegister.h | |
Colvar.h | |
DataFetchingObject.h | |
ExchangePatterns.h | |
FlexibleBin.h | |
GenericMolInfo.h | |
GREX.h | |
MDAtoms.h | |
PlumedMain.h | |
PlumedMainInitializer.h | |
TargetDist.h | |
Value.h | |
WithCmd.h | |
► vesselbase | |
ActionWithAveraging.h | |
ActionWithInputVessel.h | |
ActionWithVessel.h | |
AveragingVessel.h | |
Between.h | |
BridgeVessel.h | |
FunctionVessel.h | |
LessThan.h | |
OrderingVessel.h | |
ShortcutVessel.h | |
StoreDataVessel.h | |
ValueVessel.h | |
Vessel.h | |
VesselRegister.h | |
LWalls.cpp | |
ManyRestraintsBase.cpp | |
ManyRestraintsBase.h | |
UWalls.cpp | |
► mapping | |
► cltools | |
CLTool.h | |
CLToolRegister.h | |
► core | |
Action.h | |
ActionAnyorder.h | |
ActionAtomistic.h | |
ActionPilot.h | |
ActionRegister.h | |
ActionSet.h | |
ActionSetup.h | |
ActionShortcut.h | |
ActionWithArguments.h | |
ActionWithValue.h | |
ActionWithVirtualAtom.h | |
Atoms.h | |
CLTool.h | |
CLToolMain.h | |
CLToolRegister.h | |
Colvar.h | |
DataFetchingObject.h | |
ExchangePatterns.h | |
FlexibleBin.h | |
GenericMolInfo.h | |
GREX.h | |
MDAtoms.h | |
PlumedMain.h | |
PlumedMainInitializer.h | |
TargetDist.h | |
Value.h | |
WithCmd.h | |
► reference | |
ArgumentOnlyDistance.h | |
Direction.h | |
DRMSD.h | |
FakeFrame.h | |
MetricRegister.h | |
MultiDomainRMSD.h | |
ReferenceArguments.h | |
ReferenceAtoms.h | |
ReferenceConfiguration.h | |
ReferenceValuePack.h | |
RMSDBase.h | |
SingleDomainRMSD.h | |
► tools | |
Angle.h | |
AtomNumber.h | |
BiasRepresentation.h | |
Brent1DRootSearch.h | |
Citations.h | |
Communicator.h | |
ConjugateGradient.h | |
DLLoader.h | |
DynamicList.h | |
ERMSD.h | |
Exception.h | |
File.h | |
FileBase.h | |
ForwardDecl.h | |
Grid.h | |
h36.h | |
HistogramBead.h | |
IFile.h | |
KernelFunctions.h | |
Keywords.h | |
LatticeReduction.h | |
LinkCells.h | |
Log.h | |
LoopUnroller.h | |
Matrix.h | |
MatrixSquareBracketsAccess.h | |
Minimise1DBrent.h | |
MinimiseBase.h | |
MolDataClass.h | |
MultiValue.h | |
NeighborList.h | |
OFile.h | |
OpenMP.h | |
Pbc.h | |
PDB.h | |
PlumedHandle.h | |
Random.h | |
RMSD.h | |
RootFindingBase.h | |
Stopwatch.h | |
Subprocess.h | |
SwitchingFunction.h | |
Tensor.h | |
Tools.h | |
Torsion.h | |
Tree.h | |
TypesafePtr.h | |
Units.h | |
Vector.h | |
► vesselbase | |
ActionWithAveraging.h | |
ActionWithInputVessel.h | |
ActionWithVessel.h | |
AveragingVessel.h | |
Between.h | |
BridgeVessel.h | |
FunctionVessel.h | |
LessThan.h | |
OrderingVessel.h | |
ShortcutVessel.h | |
StoreDataVessel.h | |
ValueVessel.h | |
Vessel.h | |
VesselRegister.h | |
AdaptivePath.cpp | |
Mapping.cpp | |
Mapping.h | |
Path.cpp | |
PathBase.cpp | |
PathBase.h | |
PathReparameterization.cpp | |
PathReparameterization.h | |
PathTools.cpp | |
PCAVars.cpp | |
PropertyMap.cpp | |
SpathVessel.cpp | |
TrigonometricPathVessel.cpp | |
TrigonometricPathVessel.h | |
ZpathVessel.cpp | |
► maze | |
► bias | |
ActionRegister.h | |
Bias.h | |
ReweightBase.h | |
► colvar | |
ActionRegister.h | |
Colvar.h | |
CoordinationBase.h | |
PathMSDBase.h | |
► core | |
Action.h | |
ActionAnyorder.h | |
ActionAtomistic.h | |
ActionPilot.h | |
ActionRegister.h | |
ActionSet.h | |
ActionSetup.h | |
ActionShortcut.h | |
ActionWithArguments.h | |
ActionWithValue.h | |
ActionWithVirtualAtom.h | |
Atoms.h | |
CLTool.h | |
CLToolMain.h | |
CLToolRegister.h | |
Colvar.h | |
DataFetchingObject.h | |
ExchangePatterns.h | |
FlexibleBin.h | |
GenericMolInfo.h | |
GREX.h | |
MDAtoms.h | |
PlumedMain.h | |
PlumedMainInitializer.h | |
TargetDist.h | |
Value.h | |
WithCmd.h | |
► tools | |
Angle.h | |
AtomNumber.h | |
BiasRepresentation.h | |
Brent1DRootSearch.h | |
Citations.h | |
Communicator.h | |
ConjugateGradient.h | |
DLLoader.h | |
DynamicList.h | |
ERMSD.h | |
Exception.h | |
File.h | |
FileBase.h | |
ForwardDecl.h | |
Grid.h | |
h36.h | |
HistogramBead.h | |
IFile.h | |
KernelFunctions.h | |
Keywords.h | |
LatticeReduction.h | |
LinkCells.h | |
Log.h | |
LoopUnroller.h | |
Matrix.h | |
MatrixSquareBracketsAccess.h | |
Minimise1DBrent.h | |
MinimiseBase.h | |
MolDataClass.h | |
MultiValue.h | |
NeighborList.h | |
OFile.h | |
OpenMP.h | |
Pbc.h | |
PDB.h | |
PlumedHandle.h | |
Random.h | |
RMSD.h | |
RootFindingBase.h | |
Stopwatch.h | |
Subprocess.h | |
SwitchingFunction.h | |
Tensor.h | |
Tools.h | |
Torsion.h | |
Tree.h | |
TypesafePtr.h | |
Units.h | |
Vector.h | |
Core.cpp | Dummy cpp file |
Core.h | Header with needed includes from std and PLMD |
Loss.cpp | |
Loss.h | |
Member.cpp | Dummy cpp file |
Member.h | |
Memetic.cpp | |
Memetic.h | |
Optimizer.cpp | |
Optimizer.h | |
Optimizer_Bias.cpp | |
Random_Acceleration_MD.cpp | |
Random_MT.cpp | Dummy cpp file |
Random_MT.h | |
Random_Walk.cpp | |
Simulated_Annealing.cpp | |
Steered_MD.cpp | |
Tools.cpp | Dummy cpp file |
Tools.h | |
► molfile | |
crdplugin.cpp | |
dcdplugin.cpp | |
endianswap.h | |
fastio.h | |
Gromacs.h | |
gromacsplugin.cpp | |
largefiles.h | |
libmolfile_plugin.h | |
molfile_plugin.h | |
pdbplugin.cpp | |
periodic_table.h | |
readpdb.h | |
vmdplugin.h | |
► multicolvar | |
► core | |
Action.h | |
ActionAnyorder.h | |
ActionAtomistic.h | |
ActionPilot.h | |
ActionRegister.h | |
ActionSet.h | |
ActionSetup.h | |
ActionShortcut.h | |
ActionWithArguments.h | |
ActionWithValue.h | |
ActionWithVirtualAtom.h | |
Atoms.h | |
CLTool.h | |
CLToolMain.h | |
CLToolRegister.h | |
Colvar.h | |
DataFetchingObject.h | |
ExchangePatterns.h | |
FlexibleBin.h | |
GenericMolInfo.h | |
GREX.h | |
MDAtoms.h | |
PlumedMain.h | |
PlumedMainInitializer.h | |
TargetDist.h | |
Value.h | |
WithCmd.h | |
► gridtools | |
ActionWithGrid.h | |
ActionWithInputGrid.h | |
ActionWithIntegral.h | |
AverageOnGrid.h | |
ContourFindingBase.h | |
GridPrintingBase.h | |
GridSearch.h | |
GridVessel.h | |
HistogramOnGrid.h | |
► tools | |
Angle.h | |
AtomNumber.h | |
BiasRepresentation.h | |
Brent1DRootSearch.h | |
Citations.h | |
Communicator.h | |
ConjugateGradient.h | |
DLLoader.h | |
DynamicList.h | |
ERMSD.h | |
Exception.h | |
File.h | |
FileBase.h | |
ForwardDecl.h | |
Grid.h | |
h36.h | |
HistogramBead.h | |
IFile.h | |
KernelFunctions.h | |
Keywords.h | |
LatticeReduction.h | |
LinkCells.h | |
Log.h | |
LoopUnroller.h | |
Matrix.h | |
MatrixSquareBracketsAccess.h | |
Minimise1DBrent.h | |
MinimiseBase.h | |
MolDataClass.h | |
MultiValue.h | |
NeighborList.h | |
OFile.h | |
OpenMP.h | |
Pbc.h | |
PDB.h | |
PlumedHandle.h | |
Random.h | |
RMSD.h | |
RootFindingBase.h | |
Stopwatch.h | |
Subprocess.h | |
SwitchingFunction.h | |
Tensor.h | |
Tools.h | |
Torsion.h | |
Tree.h | |
TypesafePtr.h | |
Units.h | |
Vector.h | |
► vesselbase | |
ActionWithAveraging.h | |
ActionWithInputVessel.h | |
ActionWithVessel.h | |
AveragingVessel.h | |
Between.h | |
BridgeVessel.h | |
FunctionVessel.h | |
LessThan.h | |
OrderingVessel.h | |
ShortcutVessel.h | |
StoreDataVessel.h | |
ValueVessel.h | |
Vessel.h | |
VesselRegister.h | |
ActionVolume.cpp | |
ActionVolume.h | |
AlphaBeta.cpp | |
Angles.cpp | |
AtomValuePack.cpp | |
AtomValuePack.h | |
Bridge.cpp | |
BridgedMultiColvarFunction.cpp | |
BridgedMultiColvarFunction.h | |
CatomPack.cpp | |
CatomPack.h | |
CenterOfMultiColvar.cpp | |
CoordinationNumbers.cpp | |
Density.cpp | |
DihedralCorrelation.cpp | |
DistanceFromContour.cpp | |
Distances.cpp | |
DumpMultiColvar.cpp | |
FilterBetween.cpp | |
FilterLessThan.cpp | |
FilterMoreThan.cpp | |
InPlaneDistances.cpp | |
LocalAverage.cpp | |
MultiColvarBase.cpp | |
MultiColvarBase.h | |
MultiColvarCombine.cpp | |
MultiColvarDensity.cpp | |
MultiColvarFilter.cpp | |
MultiColvarFilter.h | |
MultiColvarProduct.cpp | |
NumberOfLinks.cpp | |
Torsions.cpp | |
VolumeAround.cpp | |
VolumeBetweenContours.cpp | |
VolumeCavity.cpp | |
VolumeGradientBase.cpp | |
VolumeGradientBase.h | |
VolumeInCylinder.cpp | |
VolumeInSphere.cpp | |
VolumeTetrapore.cpp | |
XAngle.cpp | |
XDistances.cpp | |
XYDistances.cpp | |
XYTorsion.cpp | |
► opes | |
► bias | |
ActionRegister.h | |
Bias.h | |
ReweightBase.h | |
► core | |
Action.h | |
ActionAnyorder.h | |
ActionAtomistic.h | |
ActionPilot.h | |
ActionRegister.h | |
ActionSet.h | |
ActionSetup.h | |
ActionShortcut.h | |
ActionWithArguments.h | |
ActionWithValue.h | |
ActionWithVirtualAtom.h | |
Atoms.h | |
CLTool.h | |
CLToolMain.h | |
CLToolRegister.h | |
Colvar.h | |
DataFetchingObject.h | |
ExchangePatterns.h | |
FlexibleBin.h | |
GenericMolInfo.h | |
GREX.h | |
MDAtoms.h | |
PlumedMain.h | |
PlumedMainInitializer.h | |
TargetDist.h | |
Value.h | |
WithCmd.h | |
► tools | |
Angle.h | |
AtomNumber.h | |
BiasRepresentation.h | |
Brent1DRootSearch.h | |
Citations.h | |
Communicator.h | |
ConjugateGradient.h | |
DLLoader.h | |
DynamicList.h | |
ERMSD.h | |
Exception.h | |
File.h | |
FileBase.h | |
ForwardDecl.h | |
Grid.h | |
h36.h | |
HistogramBead.h | |
IFile.h | |
KernelFunctions.h | |
Keywords.h | |
LatticeReduction.h | |
LinkCells.h | |
Log.h | |
LoopUnroller.h | |
Matrix.h | |
MatrixSquareBracketsAccess.h | |
Minimise1DBrent.h | |
MinimiseBase.h | |
MolDataClass.h | |
MultiValue.h | |
NeighborList.h | |
OFile.h | |
OpenMP.h | |
Pbc.h | |
PDB.h | |
PlumedHandle.h | |
Random.h | |
RMSD.h | |
RootFindingBase.h | |
Stopwatch.h | |
Subprocess.h | |
SwitchingFunction.h | |
Tensor.h | |
Tools.h | |
Torsion.h | |
Tree.h | |
TypesafePtr.h | |
Units.h | |
Vector.h | |
ECVcustom.cpp | |
ECVlinear.cpp | |
ECVmultiThermal.cpp | |
ECVmultiThermalBaric.cpp | |
ECVumbrellasFile.cpp | |
ECVumbrellasLine.cpp | |
ExpansionCVs.cpp | |
ExpansionCVs.h | |
OPESexpanded.cpp | |
OPESmetad.cpp | |
► pamm | |
► adjmat | |
ActionWithInputMatrix.h | |
AdjacencyMatrixBase.h | |
AdjacencyMatrixVessel.h | |
AlignedMatrixBase.h | |
ClusterAnalysisBase.h | |
ClusteringBase.h | |
► core | |
Action.h | |
ActionAnyorder.h | |
ActionAtomistic.h | |
ActionPilot.h | |
ActionRegister.h | |
ActionSet.h | |
ActionSetup.h | |
ActionShortcut.h | |
ActionWithArguments.h | |
ActionWithValue.h | |
ActionWithVirtualAtom.h | |
Atoms.h | |
CLTool.h | |
CLToolMain.h | |
CLToolRegister.h | |
Colvar.h | |
DataFetchingObject.h | |
ExchangePatterns.h | |
FlexibleBin.h | |
GenericMolInfo.h | |
GREX.h | |
MDAtoms.h | |
PlumedMain.h | |
PlumedMainInitializer.h | |
TargetDist.h | |
Value.h | |
WithCmd.h | |
► multicolvar | |
ActionVolume.h | |
AtomValuePack.h | |
BridgedMultiColvarFunction.h | |
CatomPack.h | |
MultiColvarBase.h | |
MultiColvarFilter.h | |
VolumeGradientBase.h | |
► tools | |
Angle.h | |
AtomNumber.h | |
BiasRepresentation.h | |
Brent1DRootSearch.h | |
Citations.h | |
Communicator.h | |
ConjugateGradient.h | |
DLLoader.h | |
DynamicList.h | |
ERMSD.h | |
Exception.h | |
File.h | |
FileBase.h | |
ForwardDecl.h | |
Grid.h | |
h36.h | |
HistogramBead.h | |
IFile.h | |
KernelFunctions.h | |
Keywords.h | |
LatticeReduction.h | |
LinkCells.h | |
Log.h | |
LoopUnroller.h | |
Matrix.h | |
MatrixSquareBracketsAccess.h | |
Minimise1DBrent.h | |
MinimiseBase.h | |
MolDataClass.h | |
MultiValue.h | |
NeighborList.h | |
OFile.h | |
OpenMP.h | |
Pbc.h | |
PDB.h | |
PlumedHandle.h | |
Random.h | |
RMSD.h | |
RootFindingBase.h | |
Stopwatch.h | |
Subprocess.h | |
SwitchingFunction.h | |
Tensor.h | |
Tools.h | |
Torsion.h | |
Tree.h | |
TypesafePtr.h | |
Units.h | |
Vector.h | |
HBPammHydrogens.cpp | |
HBPammMatrix.cpp | |
HBPammObject.cpp | |
HBPammObject.h | |
PAMM.cpp | |
PammObject.cpp | |
PammObject.h | |
► piv | |
► colvar | |
ActionRegister.h | |
Colvar.h | |
CoordinationBase.h | |
PathMSDBase.h | |
► core | |
Action.h | |
ActionAnyorder.h | |
ActionAtomistic.h | |
ActionPilot.h | |
ActionRegister.h | |
ActionSet.h | |
ActionSetup.h | |
ActionShortcut.h | |
ActionWithArguments.h | |
ActionWithValue.h | |
ActionWithVirtualAtom.h | |
Atoms.h | |
CLTool.h | |
CLToolMain.h | |
CLToolRegister.h | |
Colvar.h | |
DataFetchingObject.h | |
ExchangePatterns.h | |
FlexibleBin.h | |
GenericMolInfo.h | |
GREX.h | |
MDAtoms.h | |
PlumedMain.h | |
PlumedMainInitializer.h | |
TargetDist.h | |
Value.h | |
WithCmd.h | |
► tools | |
Angle.h | |
AtomNumber.h | |
BiasRepresentation.h | |
Brent1DRootSearch.h | |
Citations.h | |
Communicator.h | |
ConjugateGradient.h | |
DLLoader.h | |
DynamicList.h | |
ERMSD.h | |
Exception.h | |
File.h | |
FileBase.h | |
ForwardDecl.h | |
Grid.h | |
h36.h | |
HistogramBead.h | |
IFile.h | |
KernelFunctions.h | |
Keywords.h | |
LatticeReduction.h | |
LinkCells.h | |
Log.h | |
LoopUnroller.h | |
Matrix.h | |
MatrixSquareBracketsAccess.h | |
Minimise1DBrent.h | |
MinimiseBase.h | |
MolDataClass.h | |
MultiValue.h | |
NeighborList.h | |
OFile.h | |
OpenMP.h | |
Pbc.h | |
PDB.h | |
PlumedHandle.h | |
Random.h | |
RMSD.h | |
RootFindingBase.h | |
Stopwatch.h | |
Subprocess.h | |
SwitchingFunction.h | |
Tensor.h | |
Tools.h | |
Torsion.h | |
Tree.h | |
TypesafePtr.h | |
Units.h | |
Vector.h | |
PIV.cpp | |
► reference | |
► core | |
Action.h | |
ActionAnyorder.h | |
ActionAtomistic.h | |
ActionPilot.h | |
ActionRegister.h | |
ActionSet.h | |
ActionSetup.h | |
ActionShortcut.h | |
ActionWithArguments.h | |
ActionWithValue.h | |
ActionWithVirtualAtom.h | |
Atoms.h | |
CLTool.h | |
CLToolMain.h | |
CLToolRegister.h | |
Colvar.h | |
DataFetchingObject.h | |
ExchangePatterns.h | |
FlexibleBin.h | |
GenericMolInfo.h | |
GREX.h | |
MDAtoms.h | |
PlumedMain.h | |
PlumedMainInitializer.h | |
TargetDist.h | |
Value.h | |
WithCmd.h | |
► tools | |
Angle.h | |
AtomNumber.h | |
BiasRepresentation.h | |
Brent1DRootSearch.h | |
Citations.h | |
Communicator.h | |
ConjugateGradient.h | |
DLLoader.h | |
DynamicList.h | |
ERMSD.h | |
Exception.h | |
File.h | |
FileBase.h | |
ForwardDecl.h | |
Grid.h | |
h36.h | |
HistogramBead.h | |
IFile.h | |
KernelFunctions.h | |
Keywords.h | |
LatticeReduction.h | |
LinkCells.h | |
Log.h | |
LoopUnroller.h | |
Matrix.h | |
MatrixSquareBracketsAccess.h | |
Minimise1DBrent.h | |
MinimiseBase.h | |
MolDataClass.h | |
MultiValue.h | |
NeighborList.h | |
OFile.h | |
OpenMP.h | |
Pbc.h | |
PDB.h | |
PlumedHandle.h | |
Random.h | |
RMSD.h | |
RootFindingBase.h | |
Stopwatch.h | |
Subprocess.h | |
SwitchingFunction.h | |
Tensor.h | |
Tools.h | |
Torsion.h | |
Tree.h | |
TypesafePtr.h | |
Units.h | |
Vector.h | |
ArgumentOnlyDistance.cpp | |
ArgumentOnlyDistance.h | |
Direction.cpp | |
Direction.h | |
DotProductDistance.cpp | |
DRMSD.cpp | |
DRMSD.h | |
EuclideanDistance.cpp | |
FakeFrame.cpp | |
FakeFrame.h | |
IntermolecularDRMSD.cpp | |
IntramolecularDRMSD.cpp | |
MahalanobisDistance.cpp | |
MetricRegister.cpp | |
MetricRegister.h | |
MultiDomainRMSD.cpp | |
MultiDomainRMSD.h | |
NormalizedEuclideanDistance.cpp | |
OptimalRMSD.cpp | |
ReferenceArguments.cpp | |
ReferenceArguments.h | |
ReferenceAtoms.cpp | |
ReferenceAtoms.h | |
ReferenceConfiguration.cpp | |
ReferenceConfiguration.h | |
ReferenceValuePack.cpp | |
ReferenceValuePack.h | |
RMSDBase.cpp | |
RMSDBase.h | |
SimpleRMSD.cpp | |
SingleDomainRMSD.cpp | |
SingleDomainRMSD.h | |
► s2cm | |
► colvar | |
ActionRegister.h | |
Colvar.h | |
CoordinationBase.h | |
PathMSDBase.h | |
► core | |
Action.h | |
ActionAnyorder.h | |
ActionAtomistic.h | |
ActionPilot.h | |
ActionRegister.h | |
ActionSet.h | |
ActionSetup.h | |
ActionShortcut.h | |
ActionWithArguments.h | |
ActionWithValue.h | |
ActionWithVirtualAtom.h | |
Atoms.h | |
CLTool.h | |
CLToolMain.h | |
CLToolRegister.h | |
Colvar.h | |
DataFetchingObject.h | |
ExchangePatterns.h | |
FlexibleBin.h | |
GenericMolInfo.h | |
GREX.h | |
MDAtoms.h | |
PlumedMain.h | |
PlumedMainInitializer.h | |
TargetDist.h | |
Value.h | |
WithCmd.h | |
► tools | |
Angle.h | |
AtomNumber.h | |
BiasRepresentation.h | |
Brent1DRootSearch.h | |
Citations.h | |
Communicator.h | |
ConjugateGradient.h | |
DLLoader.h | |
DynamicList.h | |
ERMSD.h | |
Exception.h | |
File.h | |
FileBase.h | |
ForwardDecl.h | |
Grid.h | |
h36.h | |
HistogramBead.h | |
IFile.h | |
KernelFunctions.h | |
Keywords.h | |
LatticeReduction.h | |
LinkCells.h | |
Log.h | |
LoopUnroller.h | |
Matrix.h | |
MatrixSquareBracketsAccess.h | |
Minimise1DBrent.h | |
MinimiseBase.h | |
MolDataClass.h | |
MultiValue.h | |
NeighborList.h | |
OFile.h | |
OpenMP.h | |
Pbc.h | |
PDB.h | |
PlumedHandle.h | |
Random.h | |
RMSD.h | |
RootFindingBase.h | |
Stopwatch.h | |
Subprocess.h | |
SwitchingFunction.h | |
Tensor.h | |
Tools.h | |
Torsion.h | |
Tree.h | |
TypesafePtr.h | |
Units.h | |
Vector.h | |
S2ContactModel.cpp | |
► sasa | |
► config | |
Config.h | |
version.h | |
► core | |
Action.h | |
ActionAnyorder.h | |
ActionAtomistic.h | |
ActionPilot.h | |
ActionRegister.h | |
ActionSet.h | |
ActionSetup.h | |
ActionShortcut.h | |
ActionWithArguments.h | |
ActionWithValue.h | |
ActionWithVirtualAtom.h | |
Atoms.h | |
CLTool.h | |
CLToolMain.h | |
CLToolRegister.h | |
Colvar.h | |
DataFetchingObject.h | |
ExchangePatterns.h | |
FlexibleBin.h | |
GenericMolInfo.h | |
GREX.h | |
MDAtoms.h | |
PlumedMain.h | |
PlumedMainInitializer.h | |
TargetDist.h | |
Value.h | |
WithCmd.h | |
ActionRegister.h | |
Sasa.cpp | |
Sasa.h | |
sasa_HASEL.cpp | |
sasa_LCPO.cpp | |
► secondarystructure | |
► core | |
Action.h | |
ActionAnyorder.h | |
ActionAtomistic.h | |
ActionPilot.h | |
ActionRegister.h | |
ActionSet.h | |
ActionSetup.h | |
ActionShortcut.h | |
ActionWithArguments.h | |
ActionWithValue.h | |
ActionWithVirtualAtom.h | |
Atoms.h | |
CLTool.h | |
CLToolMain.h | |
CLToolRegister.h | |
Colvar.h | |
DataFetchingObject.h | |
ExchangePatterns.h | |
FlexibleBin.h | |
GenericMolInfo.h | |
GREX.h | |
MDAtoms.h | |
PlumedMain.h | |
PlumedMainInitializer.h | |
TargetDist.h | |
Value.h | |
WithCmd.h | |
► reference | |
ArgumentOnlyDistance.h | |
Direction.h | |
DRMSD.h | |
FakeFrame.h | |
MetricRegister.h | |
MultiDomainRMSD.h | |
ReferenceArguments.h | |
ReferenceAtoms.h | |
ReferenceConfiguration.h | |
ReferenceValuePack.h | |
RMSDBase.h | |
SingleDomainRMSD.h | |
► vesselbase | |
ActionWithAveraging.h | |
ActionWithInputVessel.h | |
ActionWithVessel.h | |
AveragingVessel.h | |
Between.h | |
BridgeVessel.h | |
FunctionVessel.h | |
LessThan.h | |
OrderingVessel.h | |
ShortcutVessel.h | |
StoreDataVessel.h | |
ValueVessel.h | |
Vessel.h | |
VesselRegister.h | |
AlphaRMSD.cpp | |
AntibetaRMSD.cpp | |
ParabetaRMSD.cpp | |
SecondaryStructureRMSD.cpp | |
SecondaryStructureRMSD.h | |
► setup | |
► core | |
Action.h | |
ActionAnyorder.h | |
ActionAtomistic.h | |
ActionPilot.h | |
ActionRegister.h | |
ActionSet.h | |
ActionSetup.h | |
ActionShortcut.h | |
ActionWithArguments.h | |
ActionWithValue.h | |
ActionWithVirtualAtom.h | |
Atoms.h | |
CLTool.h | |
CLToolMain.h | |
CLToolRegister.h | |
Colvar.h | |
DataFetchingObject.h | |
ExchangePatterns.h | |
FlexibleBin.h | |
GenericMolInfo.h | |
GREX.h | |
MDAtoms.h | |
PlumedMain.h | |
PlumedMainInitializer.h | |
TargetDist.h | |
Value.h | |
WithCmd.h | |
► tools | |
Angle.h | |
AtomNumber.h | |
BiasRepresentation.h | |
Brent1DRootSearch.h | |
Citations.h | |
Communicator.h | |
ConjugateGradient.h | |
DLLoader.h | |
DynamicList.h | |
ERMSD.h | |
Exception.h | |
File.h | |
FileBase.h | |
ForwardDecl.h | |
Grid.h | |
h36.h | |
HistogramBead.h | |
IFile.h | |
KernelFunctions.h | |
Keywords.h | |
LatticeReduction.h | |
LinkCells.h | |
Log.h | |
LoopUnroller.h | |
Matrix.h | |
MatrixSquareBracketsAccess.h | |
Minimise1DBrent.h | |
MinimiseBase.h | |
MolDataClass.h | |
MultiValue.h | |
NeighborList.h | |
OFile.h | |
OpenMP.h | |
Pbc.h | |
PDB.h | |
PlumedHandle.h | |
Random.h | |
RMSD.h | |
RootFindingBase.h | |
Stopwatch.h | |
Subprocess.h | |
SwitchingFunction.h | |
Tensor.h | |
Tools.h | |
Torsion.h | |
Tree.h | |
TypesafePtr.h | |
Units.h | |
Vector.h | |
ActionSetup.h | |
Load.cpp | |
Restart.cpp | |
Units.cpp | |
► tools | |
► core | |
Action.h | |
ActionAnyorder.h | |
ActionAtomistic.h | |
ActionPilot.h | |
ActionRegister.h | |
ActionSet.h | |
ActionSetup.h | |
ActionShortcut.h | |
ActionWithArguments.h | |
ActionWithValue.h | |
ActionWithVirtualAtom.h | |
Atoms.h | |
CLTool.h | |
CLToolMain.h | |
CLToolRegister.h | |
Colvar.h | |
DataFetchingObject.h | |
ExchangePatterns.h | |
FlexibleBin.h | |
GenericMolInfo.h | |
GREX.h | |
MDAtoms.h | |
PlumedMain.h | |
PlumedMainInitializer.h | |
TargetDist.h | |
Value.h | |
WithCmd.h | |
► lapack | |
def_external.h | |
def_internal.h | |
lapack.h | |
lapack_limits.h | |
real.h | |
► lepton | |
CompiledExpression.h | |
CustomFunction.h | |
Exception.h | |
ExpressionProgram.h | |
ExpressionTreeNode.h | |
Lepton.h | |
MSVC_erfc.h | |
Operation.h | |
ParsedExpression.h | |
Parser.h | |
windowsIncludes.h | |
Angle.cpp | |
Angle.h | |
AtomNumber.cpp | |
AtomNumber.h | |
BiasRepresentation.cpp | |
BiasRepresentation.h | |
Brent1DRootSearch.cpp | |
Brent1DRootSearch.h | |
Citations.cpp | |
Citations.h | |
Communicator.cpp | |
Communicator.h | |
ConjugateGradient.cpp | |
ConjugateGradient.h | |
DLLoader.cpp | |
DLLoader.h | |
DynamicList.cpp | |
DynamicList.h | |
ERMSD.cpp | |
ERMSD.h | |
Exception.cpp | |
Exception.h | |
File.h | |
FileBase.cpp | |
FileBase.h | |
ForwardDecl.cpp | |
ForwardDecl.h | |
Grid.cpp | |
Grid.h | |
h36.cpp | |
h36.h | |
HistogramBead.cpp | |
HistogramBead.h | |
IFile.cpp | |
IFile.h | |
KernelFunctions.cpp | |
KernelFunctions.h | |
Keywords.cpp | |
Keywords.h | |
LatticeReduction.cpp | |
LatticeReduction.h | |
LinkCells.cpp | |
LinkCells.h | |
Log.cpp | |
Log.h | |
LoopUnroller.cpp | |
LoopUnroller.h | |
Matrix.cpp | |
Matrix.h | |
MatrixSquareBracketsAccess.cpp | |
MatrixSquareBracketsAccess.h | |
Minimise1DBrent.cpp | |
Minimise1DBrent.h | |
MinimiseBase.cpp | |
MinimiseBase.h | |
MolDataClass.cpp | |
MolDataClass.h | |
MultiValue.cpp | |
MultiValue.h | |
NeighborList.cpp | |
NeighborList.h | |
OFile.cpp | |
OFile.h | |
OpenMP.cpp | |
OpenMP.h | |
Pbc.cpp | |
Pbc.h | |
PDB.cpp | |
PDB.h | |
PlumedHandle.cpp | |
PlumedHandle.h | |
Random.cpp | |
Random.h | |
RMSD.cpp | |
RMSD.h | |
RootFindingBase.cpp | |
RootFindingBase.h | |
Stopwatch.cpp | |
Stopwatch.h | |
Subprocess.cpp | |
Subprocess.h | |
SwitchingFunction.cpp | |
SwitchingFunction.h | |
Tensor.cpp | |
Tensor.h | |
Tools.cpp | |
Tools.h | |
Torsion.cpp | |
Torsion.h | |
Tree.cpp | |
Tree.h | |
TypesafePtr.cpp | |
TypesafePtr.h | |
Units.cpp | |
Units.h | |
Vector.cpp | |
Vector.h | |
► vatom | |
► core | |
Action.h | |
ActionAnyorder.h | |
ActionAtomistic.h | |
ActionPilot.h | |
ActionRegister.h | |
ActionSet.h | |
ActionSetup.h | |
ActionShortcut.h | |
ActionWithArguments.h | |
ActionWithValue.h | |
ActionWithVirtualAtom.h | |
Atoms.h | |
CLTool.h | |
CLToolMain.h | |
CLToolRegister.h | |
Colvar.h | |
DataFetchingObject.h | |
ExchangePatterns.h | |
FlexibleBin.h | |
GenericMolInfo.h | |
GREX.h | |
MDAtoms.h | |
PlumedMain.h | |
PlumedMainInitializer.h | |
TargetDist.h | |
Value.h | |
WithCmd.h | |
► tools | |
Angle.h | |
AtomNumber.h | |
BiasRepresentation.h | |
Brent1DRootSearch.h | |
Citations.h | |
Communicator.h | |
ConjugateGradient.h | |
DLLoader.h | |
DynamicList.h | |
ERMSD.h | |
Exception.h | |
File.h | |
FileBase.h | |
ForwardDecl.h | |
Grid.h | |
h36.h | |
HistogramBead.h | |
IFile.h | |
KernelFunctions.h | |
Keywords.h | |
LatticeReduction.h | |
LinkCells.h | |
Log.h | |
LoopUnroller.h | |
Matrix.h | |
MatrixSquareBracketsAccess.h | |
Minimise1DBrent.h | |
MinimiseBase.h | |
MolDataClass.h | |
MultiValue.h | |
NeighborList.h | |
OFile.h | |
OpenMP.h | |
Pbc.h | |
PDB.h | |
PlumedHandle.h | |
Random.h | |
RMSD.h | |
RootFindingBase.h | |
Stopwatch.h | |
Subprocess.h | |
SwitchingFunction.h | |
Tensor.h | |
Tools.h | |
Torsion.h | |
Tree.h | |
TypesafePtr.h | |
Units.h | |
Vector.h | |
ActionRegister.h | |
ActionWithVirtualAtom.cpp | |
ActionWithVirtualAtom.h | |
Center.cpp | |
FixedAtom.cpp | |
Ghost.cpp | |
► ves | |
► bias | |
ActionRegister.h | |
Bias.h | |
ReweightBase.h | |
► cltools | |
CLTool.h | |
CLToolRegister.h | |
► core | |
Action.h | |
ActionAnyorder.h | |
ActionAtomistic.h | |
ActionPilot.h | |
ActionRegister.h | |
ActionSet.h | |
ActionSetup.h | |
ActionShortcut.h | |
ActionWithArguments.h | |
ActionWithValue.h | |
ActionWithVirtualAtom.h | |
Atoms.h | |
CLTool.h | |
CLToolMain.h | |
CLToolRegister.h | |
Colvar.h | |
DataFetchingObject.h | |
ExchangePatterns.h | |
FlexibleBin.h | |
GenericMolInfo.h | |
GREX.h | |
MDAtoms.h | |
PlumedMain.h | |
PlumedMainInitializer.h | |
TargetDist.h | |
Value.h | |
WithCmd.h | |
► lepton | |
CompiledExpression.h | |
CustomFunction.h | |
Exception.h | |
ExpressionProgram.h | |
ExpressionTreeNode.h | |
Lepton.h | |
MSVC_erfc.h | |
Operation.h | |
ParsedExpression.h | |
Parser.h | |
windowsIncludes.h | |
► tools | |
Angle.h | |
AtomNumber.h | |
BiasRepresentation.h | |
Brent1DRootSearch.h | |
Citations.h | |
Communicator.h | |
ConjugateGradient.h | |
DLLoader.h | |
DynamicList.h | |
ERMSD.h | |
Exception.h | |
File.h | |
FileBase.h | |
ForwardDecl.h | |
Grid.h | |
h36.h | |
HistogramBead.h | |
IFile.h | |
KernelFunctions.h | |
Keywords.h | |
LatticeReduction.h | |
LinkCells.h | |
Log.h | |
LoopUnroller.h | |
Matrix.h | |
MatrixSquareBracketsAccess.h | |
Minimise1DBrent.h | |
MinimiseBase.h | |
MolDataClass.h | |
MultiValue.h | |
NeighborList.h | |
OFile.h | |
OpenMP.h | |
Pbc.h | |
PDB.h | |
PlumedHandle.h | |
Random.h | |
RMSD.h | |
RootFindingBase.h | |
Stopwatch.h | |
Subprocess.h | |
SwitchingFunction.h | |
Tensor.h | |
Tools.h | |
Torsion.h | |
Tree.h | |
TypesafePtr.h | |
Units.h | |
Vector.h | |
BasisFunctions.cpp | |
BasisFunctions.h | |
BF_Chebyshev.cpp | |
BF_Combined.cpp | |
BF_Cosine.cpp | |
BF_CubicBsplines.cpp | |
BF_Custom.cpp | |
BF_Fourier.cpp | |
BF_Gaussians.cpp | |
BF_Legendre.cpp | |
BF_Powers.cpp | |
BF_Sine.cpp | |
BF_Wavelets.cpp | |
CoeffsBase.cpp | |
CoeffsBase.h | |
CoeffsMatrix.cpp | |
CoeffsMatrix.h | |
CoeffsVector.cpp | |
CoeffsVector.h | |
FermiSwitchingFunction.cpp | |
FermiSwitchingFunction.h | |
GridIntegrationWeights.cpp | |
GridIntegrationWeights.h | |
GridLinearInterpolation.cpp | |
GridLinearInterpolation.h | |
GridProjWeights.cpp | |
GridProjWeights.h | |
LinearBasisSetExpansion.cpp | |
LinearBasisSetExpansion.h | |
MD_LinearExpansionPES.cpp | |
Opt_Adam.cpp | |
Opt_BachAveragedSGD.cpp | |
Opt_Dummy.cpp | |
Opt_RobbinsMonroSGD.cpp | |
Optimizer.cpp | |
Optimizer.h | |
OutputBasisFunctions.cpp | |
OutputFesBias.cpp | |
OutputTargetDistribution.cpp | |
TargetDistModifer.cpp | |
TargetDistModifer.h | |
TargetDistribution.cpp | |
TargetDistribution.h | |
TD_Chi.cpp | |
TD_ChiSquared.cpp | |
TD_Custom.cpp | |
TD_Exponential.cpp | |
TD_ExponentiallyModifiedGaussian.cpp | |
TD_Gaussian.cpp | |
TD_GeneralizedExtremeValue.cpp | |
TD_GeneralizedNormal.cpp | |
TD_Grid.cpp | |
TD_LinearCombination.cpp | |
TD_Multicanonical.cpp | |
TD_MultithermalMultibaric.cpp | |
TD_ProductCombination.cpp | |
TD_ProductDistribution.cpp | |
TD_Uniform.cpp | |
TD_VonMises.cpp | |
TD_WellTempered.cpp | |
VesBias.cpp | |
VesBias.h | |
VesDeltaF.cpp | |
VesLinearExpansion.cpp | |
VesTools.cpp | |
VesTools.h | |
WaveletCoeffs.cpp | |
WaveletGrid.cpp | |
WaveletGrid.h | |
► vesselbase | |
► analysis | |
AnalysisBase.h | |
AverageVessel.h | |
DataCollectionObject.h | |
LandmarkSelectionBase.h | |
ReadAnalysisFrames.h | |
► bias | |
ActionRegister.h | |
Bias.h | |
ReweightBase.h | |
► core | |
Action.h | |
ActionAnyorder.h | |
ActionAtomistic.h | |
ActionPilot.h | |
ActionRegister.h | |
ActionSet.h | |
ActionSetup.h | |
ActionShortcut.h | |
ActionWithArguments.h | |
ActionWithValue.h | |
ActionWithVirtualAtom.h | |
Atoms.h | |
CLTool.h | |
CLToolMain.h | |
CLToolRegister.h | |
Colvar.h | |
DataFetchingObject.h | |
ExchangePatterns.h | |
FlexibleBin.h | |
GenericMolInfo.h | |
GREX.h | |
MDAtoms.h | |
PlumedMain.h | |
PlumedMainInitializer.h | |
TargetDist.h | |
Value.h | |
WithCmd.h | |
► tools | |
Angle.h | |
AtomNumber.h | |
BiasRepresentation.h | |
Brent1DRootSearch.h | |
Citations.h | |
Communicator.h | |
ConjugateGradient.h | |
DLLoader.h | |
DynamicList.h | |
ERMSD.h | |
Exception.h | |
File.h | |
FileBase.h | |
ForwardDecl.h | |
Grid.h | |
h36.h | |
HistogramBead.h | |
IFile.h | |
KernelFunctions.h | |
Keywords.h | |
LatticeReduction.h | |
LinkCells.h | |
Log.h | |
LoopUnroller.h | |
Matrix.h | |
MatrixSquareBracketsAccess.h | |
Minimise1DBrent.h | |
MinimiseBase.h | |
MolDataClass.h | |
MultiValue.h | |
NeighborList.h | |
OFile.h | |
OpenMP.h | |
Pbc.h | |
PDB.h | |
PlumedHandle.h | |
Random.h | |
RMSD.h | |
RootFindingBase.h | |
Stopwatch.h | |
Subprocess.h | |
SwitchingFunction.h | |
Tensor.h | |
Tools.h | |
Torsion.h | |
Tree.h | |
TypesafePtr.h | |
Units.h | |
Vector.h | |
ActionWithAveraging.cpp | |
ActionWithAveraging.h | |
ActionWithInputVessel.cpp | |
ActionWithInputVessel.h | |
ActionWithVessel.cpp | |
ActionWithVessel.h | |
AltMin.cpp | |
AveragingVessel.cpp | |
AveragingVessel.h | |
Between.cpp | |
Between.h | |
BridgeVessel.cpp | |
BridgeVessel.h | |
FunctionVessel.cpp | |
FunctionVessel.h | |
Highest.cpp | |
Histogram.cpp | |
LessThan.cpp | |
LessThan.h | |
Lowest.cpp | |
Max.cpp | |
Mean.cpp | |
Min.cpp | |
Moments.cpp | |
MoreThan.cpp | |
OrderingVessel.cpp | |
OrderingVessel.h | |
ShortcutVessel.cpp | |
ShortcutVessel.h | |
StoreDataVessel.cpp | |
StoreDataVessel.h | |
Sum.cpp | |
ValueVessel.cpp | |
ValueVessel.h | |
Vessel.cpp | |
Vessel.h | |
VesselRegister.cpp | |
VesselRegister.h | |
► wrapper | |
Plumed.c | |
Plumed.h | |
PlumedStatic.cpp | |
► xdrfile | |
xdrfile.cpp | |
xdrfile.h | Interface to read/write portabile binary files using XDR |
xdrfile_trr.cpp | |
xdrfile_trr.h | |
xdrfile_xtc.cpp | |
xdrfile_xtc.h | |