- g -
- Gaussian()
: PLMD::bias::MetaD::Gaussian
, PLMD::bias::PBMetaD::Gaussian
, PLMD::Random
- Gaussian2D()
: PLMD::ves::TD_Gaussian
- GaussianDiagonal()
: PLMD::ves::TD_Gaussian
- GaussianSwitchingFunc()
: PLMD::ves::TD_Uniform
- gcmd()
: PLMD::Plumed
- gcreate()
: PLMD::Plumed
- generateBins()
: PLMD::HistogramBead
- GenTemplate()
: PLMD::cltools::GenTemplate
- get()
: PLMD::Keywords
, PLMD::MultiValue
, PLMD::Value
- get_auxiliary_stuff()
: PLMD::isdb::EMMI
- Get_comm()
: PLMD::Communicator
- Get_count()
: PLMD::Communicator::Status
- get_cutoff_ov()
: PLMD::isdb::EMMI
- get_d0()
: PLMD::SwitchingFunction
- get_dmax()
: PLMD::SwitchingFunction
- get_dmax2()
: PLMD::SwitchingFunction
- get_GMM_d()
: PLMD::isdb::EMMI
- get_GMM_m()
: PLMD::isdb::EMMI
- get_numXtraDists()
: PLMD::isdb::CS2BackboneDB
- get_overlap()
: PLMD::isdb::EMMI
- get_prefactor_inverse()
: PLMD::isdb::EMMI
- get_r0()
: PLMD::SwitchingFunction
, PLMD::ves::FermiSwitchingFunction
- Get_rank()
: PLMD::Communicator
- get_self_overlap()
: PLMD::isdb::EMMI
- get_sigma_mean()
: PLMD::isdb::Metainference
, PLMD::isdb::MetainferenceBase
- Get_size()
: PLMD::Communicator
- get_value()
: PLMD::drr::UIestimator::n_matrix
, PLMD::drr::UIestimator::n_vector< T >
- get_weights()
: PLMD::isdb::Metainference
, PLMD::isdb::MetainferenceBase
- Get_world()
: PLMD::Communicator
- getAbsoluteIndex()
: PLMD::ActionAtomistic
, PLMD::multicolvar::AtomValuePack
- getAbsoluteIndexes()
: PLMD::ActionAtomistic
, PLMD::multicolvar::BridgedMultiColvarFunction
, PLMD::ReferenceAtoms
, PLMD::ReferenceConfiguration
- getAbsoluteIndexOfCentralAtom()
: PLMD::adjmat::ActionWithInputMatrix
, PLMD::adjmat::AdjacencyMatrixBase
, PLMD::adjmat::ClusterWithSurface
, PLMD::crystallization::MoleculeOrientation
, PLMD::crystallization::MoleculePlane
, PLMD::multicolvar::BridgedMultiColvarFunction
, PLMD::multicolvar::MultiColvarBase
- getAction()
: PLMD::vesselbase::Vessel
- getActionSet()
: PLMD::PlumedMain
- getActiveIndex()
: PLMD::MultiValue
- getActiveTask()
: PLMD::vesselbase::ActionWithVessel
- getAdjacencyVessel()
: PLMD::adjmat::ActionWithInputMatrix
, PLMD::adjmat::AdjacencyMatrixBase
- getAlign()
: PLMD::ReferenceAtoms
, PLMD::RMSD
- getAlignedPositionsToReference()
: PLMD::RMSDCoreData
- getAlignedReferenceToPositions()
: PLMD::RMSDCoreData
- getAllCoeffsDescriptions()
: PLMD::ves::CoeffsBase
- getAllDimensionLabels()
: PLMD::ves::CoeffsBase
- getAllInput()
: PLMD::vesselbase::Vessel
- getAllReferenceConfigurations()
: PLMD::mapping::Mapping
- getAllValues()
: PLMD::ves::BasisFunctions
, PLMD::ves::BF_Chebyshev
, PLMD::ves::BF_Combined
, PLMD::ves::BF_Cosine
, PLMD::ves::BF_Custom
, PLMD::ves::BF_Fourier
, PLMD::ves::BF_Legendre
, PLMD::ves::BF_Powers
, PLMD::ves::BF_Sine
- getAllValuesNumericalDerivs()
: PLMD::ves::BasisFunctions
- getArgNames()
: PLMD::Grid
- getArgument()
: PLMD::ActionWithArguments
- getArgumentDerivative()
: PLMD::ReferenceValuePack
- getArgumentName()
: PLMD::mapping::Mapping
- getArgumentNames()
: PLMD::ReferenceArguments
, PLMD::ReferenceConfiguration
- getArgumentRequests()
: PLMD::ReferenceArguments
, PLMD::ReferenceConfiguration
- getArguments()
: PLMD::ActionWithArguments
, PLMD::vesselbase::ActionWithAveraging
- getAtomAndArgumentRequirements()
: PLMD::MultiReferenceBase
- getAtomBlockEnds()
: PLMD::PDB
- getAtomDerivative()
: PLMD::ReferenceValuePack
- getAtomIndex()
: PLMD::ReferenceAtoms
, PLMD::ReferenceValuePack
, PLMD::secondarystructure::SecondaryStructureRMSD
- getAtomName()
: PLMD::PDB
, PLMD::SetupMolInfo
- getAtomNumbers()
: PLMD::PDB
- getAtomRange()
: PLMD::PDB
- getAtomRequests()
: PLMD::ReferenceAtoms
, PLMD::ReferenceConfiguration
- getAtoms()
: PLMD::PlumedMain
- getAtomsDisplacementVector()
: PLMD::ReferenceValuePack
- getAtomsInChain()
: PLMD::PDB
- getAtomsInResidue()
: PLMD::PDB
- getAtomVector()
: PLMD::MultiValue
, PLMD::ReferenceValuePack
- getAuxCoeffsPntrs()
: PLMD::ves::Optimizer
- getAverage()
: PLMD::analysis::AverageVessel
- getAverDecay()
: PLMD::ves::Opt_BachAveragedSGD
- getBackbone()
: PLMD::SetupMolInfo
- getBackboneForResidue()
: PLMD::MolDataClass
- getBaseColvarNumber()
: PLMD::adjmat::AdjacencyMatrixBase
- getBaseMultiColvar()
: PLMD::adjmat::ActionWithInputMatrix
, PLMD::multicolvar::MultiColvarBase
- getBasisFunctionLabel()
: PLMD::ves::BasisFunctions
- getBasisFunctionLabels()
: PLMD::ves::BasisFunctions
- getBasisSetConstant()
: PLMD::ves::LinearBasisSetExpansion
- getBasisSetValue()
: PLMD::ves::LinearBasisSetExpansion
- getBasisSetValues()
: PLMD::ves::LinearBasisSetExpansion
- getBeta()
: PLMD::PDB
, PLMD::ves::LinearBasisSetExpansion
, PLMD::ves::TargetDistribution
, PLMD::ves::VesBias
- getBias()
: PLMD::PlumedMain
, PLMD::ves::LinearBasisSetExpansion
- getBiasAndDerivatives()
: PLMD::bias::MetaD
, PLMD::bias::PBMetaD
- getBiasAndForces()
: PLMD::ves::LinearBasisSetExpansion
- getBiasCutoffSwitchingFunction()
: PLMD::ves::VesBias
- getBiasCutoffValue()
: PLMD::ves::VesBias
- getBiasFileFmt()
: PLMD::ves::VesBias
- getBiasGridPntr()
: PLMD::ves::TargetDistribution
- getBiasOutputFilename()
: PLMD::ves::VesBias
- getBiasOutputStride()
: PLMD::ves::Optimizer
- getBiasPntrs()
: PLMD::ves::Optimizer
- getBiasWithoutCutoffGridPntr()
: PLMD::ves::TargetDistribution
- getbigb()
: PLMD::HistogramBead
- getBinVolume()
: PLMD::Grid
- getBox()
: PLMD::ActionAtomistic
, PLMD::MDAtomsBase
, PLMD::MDAtomsTyped< T >
, PLMD::multicolvar::VolumeGradientBase
, PLMD::Pbc
- getBoxDerivatives()
: PLMD::Colvar
, PLMD::ReferenceValuePack
- getCachelineSize()
: PLMD::OpenMP
- getCalcData()
: PLMD::isdb::MetainferenceBase
- getCellVolume()
: PLMD::gridtools::GridVessel
- getCenter()
: PLMD::KernelFunctions
- getCenteredPositions()
: PLMD::RMSDCoreData
- getCenteredReference()
: PLMD::RMSDCoreData
- getCentralAtom()
: PLMD::adjmat::AdjacencyMatrixBase
- getCentralAtomElementIndex()
: PLMD::multicolvar::ActionVolume
- getCentralAtomPack()
: PLMD::multicolvar::BridgedMultiColvarFunction
, PLMD::multicolvar::MultiColvarBase
- getCentralAtomPos()
: PLMD::multicolvar::BridgedMultiColvarFunction
, PLMD::multicolvar::MultiColvarBase
- getChainID()
: PLMD::PDB
- getChainNames()
: PLMD::PDB
- getCharge()
: PLMD::ActionAtomistic
, PLMD::Units
- getCharges()
: PLMD::MDAtomsBase
, PLMD::MDAtomsTyped< T >
- getChargeString()
: PLMD::Units
- getChildren()
: PLMD::lepton::ExpressionTreeNode
- getClosePair()
: PLMD::NeighborList
- getCoeffDescription()
: PLMD::ves::CoeffsBase
- getCoeffsIndex()
: PLMD::ves::VesBias
- getCoeffsIndices()
: PLMD::ves::VesBias
- getCoeffsInfoFromFile()
: PLMD::ves::CoeffsBase
- getCoeffsMaskPntrs()
: PLMD::ves::Optimizer
- getCoeffsPntr()
: PLMD::ves::VesBias
- getCoeffsPntrs()
: PLMD::ves::Optimizer
, PLMD::ves::VesBias
- getCoeffsSetFilenameSuffix()
: PLMD::ves::VesBias
- getCoeffsSetLabelString()
: PLMD::ves::VesBias
- getCol()
: PLMD::TensorGeneric< n, m >
- getCommunicator()
: PLMD::analysis::LandmarkSelectionBase
, PLMD::ves::CoeffsMatrix
, PLMD::ves::CoeffsVector
- getComponent()
: PLMD::ActionWithValue
- getComponentName()
: PLMD::gridtools::GridVessel
- getComponentsList()
: PLMD::ActionWithValue
- getComponentsVector()
: PLMD::ActionWithValue
- getConstantValue()
: PLMD::lepton::ParsedExpression
- getContinuousSupport()
: PLMD::KernelFunctions
- getCPT()
: PLMD::Action
, PLMD::PlumedMain
- getCubeUnits()
: PLMD::gridtools::GridVessel
- getCurrentBiasMaxValue()
: PLMD::ves::VesBias
- getCurrentBiasOutputFilename()
: PLMD::ves::VesBias
- getCurrentFesOutputFilename()
: PLMD::ves::VesBias
- getCurrentNumberOfActiveTasks()
: PLMD::vesselbase::ActionWithVessel
- getCurrentOutputFilename()
: PLMD::ves::VesBias
- getCurrentStepSize()
: PLMD::ves::Optimizer
- getCurrentStepSizes()
: PLMD::ves::Optimizer
- getCurrentTargetDistOutputFilename()
: PLMD::ves::VesBias
- getCutoff()
: PLMD::HistogramBead
, PLMD::KernelFunctions
, PLMD::LinkCells
, PLMD::vesselbase::Between
, PLMD::vesselbase::LessThan
- getCutoffForConnection()
: PLMD::adjmat::AdjacencyMatrixVessel
, PLMD::adjmat::ClusterAnalysisBase
, PLMD::adjmat::ClusteringBase
, PLMD::adjmat::ClusterWithSurface
- getDataAsVector()
: PLMD::ves::CoeffsMatrix
, PLMD::ves::CoeffsVector
- getDataElement()
: PLMD::vesselbase::AveragingVessel
- getDataLabel()
: PLMD::ves::CoeffsBase
- getDataPoint()
: PLMD::analysis::Analysis
- getDataUser()
: PLMD::vesselbase::StoreDataVessel
- getDDistanceDPositions()
: PLMD::RMSDCoreData
- getDDistanceDReference()
: PLMD::RMSDCoreData
- getDDistanceDReferenceSOMA()
: PLMD::RMSDCoreData
- getDdStep()
: PLMD::Atoms
- getDefaultValue()
: PLMD::Keywords
- getDependencies()
: PLMD::Action
- getDerivative()
: PLMD::multicolvar::CatomPack
, PLMD::MultiValue
, PLMD::Value
- getDerivOrder()
: PLMD::lepton::Operation
- getDescription()
: PLMD::ves::BasisFunctions
, PLMD::ves::Optimizer
- getDifferenceFromContour()
: PLMD::Grid
, PLMD::gridtools::ContourFindingBase
, PLMD::multicolvar::DistanceFromContour
- getDimension()
: PLMD::Grid
, PLMD::gridtools::GridVessel
, PLMD::ves::TargetDistribution
- getDimensionLabel()
: PLMD::ves::CoeffsBase
- getDisplace()
: PLMD::ReferenceAtoms
, PLMD::RMSD
- getDistance()
: PLMD::RMSDCoreData
- getDistanceBetweenFrames()
: PLMD::analysis::LandmarkSelectionBase
- getDocumentation()
: PLMD::Action
- getDomain()
: PLMD::Value
- getDoScore()
: PLMD::isdb::MetainferenceBase
- getDRotationDPositions()
: PLMD::RMSDCoreData
- getDRotationDReference()
: PLMD::RMSDCoreData
- getDRotationDRr01()
: PLMD::RMSDCoreData
- getDx()
: PLMD::Grid
- getEnergy()
: PLMD::ActionAtomistic
, PLMD::Atoms
, PLMD::Units
- getEnergyForceGJ()
: PLMD::isdb::Metainference
, PLMD::isdb::MetainferenceBase
- getEnergyForceGJE()
: PLMD::isdb::Metainference
, PLMD::isdb::MetainferenceBase
- getEnergyForceMIGEN()
: PLMD::isdb::Metainference
, PLMD::isdb::MetainferenceBase
- getEnergyForceSP()
: PLMD::isdb::Metainference
, PLMD::isdb::MetainferenceBase
- getEnergyForceSPE()
: PLMD::isdb::Metainference
, PLMD::isdb::MetainferenceBase
- getEnergyGJ()
: PLMD::isdb::Metainference
, PLMD::isdb::MetainferenceBase
- getEnergyGJE()
: PLMD::isdb::Metainference
, PLMD::isdb::MetainferenceBase
- getEnergyMIGEN()
: PLMD::isdb::Metainference
, PLMD::isdb::MetainferenceBase
- getEnergySP()
: PLMD::isdb::Metainference
, PLMD::isdb::MetainferenceBase
- getEnergySPE()
: PLMD::isdb::Metainference
, PLMD::isdb::MetainferenceBase
- getEnergyString()
: PLMD::Units
- getEng()
: PLMD::F1dim< FCLASS >
- getExchangePatterns()
: PLMD::PlumedMain
- getExchangeStep()
: PLMD::Action
, PLMD::PlumedMain
- getFesFileFmt()
: PLMD::ves::VesBias
- getFesGridPntr()
: PLMD::ves::TargetDistribution
- getFesOutputFilename()
: PLMD::ves::VesBias
- getFesOutputStride()
: PLMD::ves::Optimizer
- getFesProjOutputStride()
: PLMD::ves::Optimizer
- getFibonacciCoordinates()
: PLMD::gridtools::GridVessel
- getFibonacciCutoff()
: PLMD::gridtools::GridVessel
, PLMD::gridtools::HistogramOnGrid
- getFibonacciIndex()
: PLMD::gridtools::GridVessel
- getFile()
: PLMD::generic::Read
- getFilename()
: PLMD::generic::Read
- getFinalForces()
: PLMD::gridtools::AverageOnGrid
, PLMD::gridtools::GridVessel
, PLMD::gridtools::HistogramOnGrid
- getFinalValue()
: PLMD::vesselbase::ValueVessel
- getFlag()
: PLMD::ExchangePatterns
- getFlatGridCoordinates()
: PLMD::gridtools::GridVessel
- getForce()
: PLMD::Colvar
, PLMD::Value
- getForcesFromVessels()
: PLMD::vesselbase::ActionWithVessel
- getFrame()
: PLMD::MultiReferenceBase
- getFullAtomList()
: PLMD::NeighborList
- getFullList()
: PLMD::Atoms
- getFullNumberOfTasks()
: PLMD::vesselbase::ActionWithVessel
- getFunctionOperation()
: PLMD::lepton::Parser
- getFunctionValue()
: PLMD::gridtools::ActionWithInputGrid
- getFunctionValueAndDerivatives()
: PLMD::gridtools::ActionWithInputGrid
- getGatindex()
: PLMD::Atoms
- getGaussianNormalization()
: PLMD::bias::MetaD
- getGaussianSupport()
: PLMD::bias::MetaD
, PLMD::bias::PBMetaD
- getGoodNumThreads()
: PLMD::OpenMP
, PLMD::PlumedMain
- getGradientPntr()
: PLMD::ves::VesBias
- getGradientPntrs()
: PLMD::ves::Optimizer
, PLMD::ves::VesBias
- getGradients()
: PLMD::ActionWithVirtualAtom
- getGridBins()
: PLMD::ves::LinearBasisSetExpansion
, PLMD::ves::VesBias
- getGridElement()
: PLMD::gridtools::AverageOnGrid
, PLMD::gridtools::GridVessel
- getGridExtent()
: PLMD::gridtools::GridVessel
- getGridFileInfo()
: PLMD::ves::VesTools
- getGridMax()
: PLMD::ves::VesBias
- getGridMin()
: PLMD::ves::VesBias
- getGridPointCoordinates()
: PLMD::gridtools::GridVessel
- getGridPtr()
: PLMD::BiasRepresentation
- getGridSpacing()
: PLMD::gridtools::GridVessel
- getGridValueWithLinearInterpolation()
: PLMD::ves::GridLinearInterpolation
- getGridValueWithLinearInterpolation_1D()
: PLMD::ves::GridLinearInterpolation
- getGridValueWithLinearInterpolation_2D()
: PLMD::ves::GridLinearInterpolation
- getHeight()
: PLMD::bias::MetaD
- getHessianIndex()
: PLMD::ves::VesBias
- getHessianPntr()
: PLMD::ves::VesBias
- getHessianPntrs()
: PLMD::ves::Optimizer
, PLMD::ves::VesBias
- getId()
: PLMD::lepton::Operation
- getIndex()
: PLMD::ActionWithVirtualAtom
, PLMD::Grid
, PLMD::gridtools::GridVessel
, PLMD::multicolvar::AtomValuePack
, PLMD::multicolvar::CatomPack
, PLMD::ves::CoeffsBase
- getIndexList()
: PLMD::multicolvar::BridgedMultiColvarFunction
, PLMD::multicolvar::Density
- getIndexOfElement()
: PLMD::DynamicList< T >
- getIndexPair()
: PLMD::NeighborList
- getIndices()
: PLMD::Grid
, PLMD::gridtools::GridVessel
, PLMD::MultiValue
, PLMD::ves::CoeffsBase
- getInputData()
: PLMD::adjmat::ActionWithInputMatrix
, PLMD::adjmat::ClusterWithSurface
, PLMD::CLTool
, PLMD::multicolvar::MultiColvarBase
- getInputDerivatives()
: PLMD::adjmat::ActionWithInputMatrix
, PLMD::adjmat::ClusterWithSurface
, PLMD::multicolvar::MultiColvarBase
- getInputString()
: PLMD::gridtools::GridVessel
- getIntegrationWeights()
: PLMD::ves::GridIntegrationWeights
- getInvBox()
: PLMD::Pbc
- getInverseMatrix()
: PLMD::FlexibleBin
- getIsPeriodic()
: PLMD::Grid
- getIterationCounter()
: PLMD::ves::CoeffsBase
, PLMD::ves::Optimizer
, PLMD::ves::VesBias
- getIterationCounterAndTimeFromFile()
: PLMD::ves::CoeffsBase
- getIterationCounterDbl()
: PLMD::ves::Optimizer
- getIterationCounterStr()
: PLMD::ves::Optimizer
- getIterationFilenameSuffix()
: PLMD::ves::VesBias
- getKBoltzmann()
: PLMD::Atoms
- getKbT()
: PLMD::Atoms
, PLMD::ves::LinearBasisSetExpansion
, PLMD::ves::VesBias
- getKernelAndNeighbors()
: PLMD::gridtools::HistogramOnGrid
- getKernelType()
: PLMD::multicolvar::ActionVolume
- getKey()
: PLMD::Tools
- getKeyword()
: PLMD::Action
, PLMD::Keywords
- getKeywordList()
: PLMD::ves::BasisFunctions
- getKeywords()
: PLMD::vesselbase::VesselRegister
- getKeywordString()
: PLMD::ves::BasisFunctions
- getL1Norm()
: PLMD::ves::CoeffsVector
- getL2Norm()
: PLMD::ves::CoeffsVector
- getLabel()
: PLMD::Action
, PLMD::ves::CoeffsBase
, PLMD::vesselbase::Vessel
- getLabelList()
: PLMD::ActionSet
- getLabelsOfAvailableActions()
: PLMD::ves::VesTools
- getLabelVector()
: PLMD::ActionSet
- getLambda()
: PLMD::mapping::AdaptivePath
, PLMD::mapping::Mapping
, PLMD::mapping::PathBase
- getLastUpdate()
: PLMD::NeighborList
- getLength()
: PLMD::Units
- getLengthString()
: PLMD::Units
- getline()
: PLMD::IFile
, PLMD::Tools
- getLinkCellCutoff()
: PLMD::multicolvar::MultiColvarBase
- getList()
: PLMD::ExchangePatterns
- getLocalDerivative()
: PLMD::vesselbase::StoreDataVessel
- getLocalForces()
: PLMD::Atoms
- getLocalMasses()
: PLMD::Atoms
- getLocalMDForces()
: PLMD::Atoms
- getLocalPositions()
: PLMD::Atoms
, PLMD::MDAtomsBase
, PLMD::MDAtomsTyped< T >
- getLog()
: PLMD::PlumedMain
- getLogicalDefault()
: PLMD::Keywords
- getLogTargetDistGridPntr()
: PLMD::ves::TargetDistribution
- getLogWeight()
: PLMD::bias::ReweightBase
, PLMD::bias::ReweightBias
, PLMD::bias::ReweightMetad
, PLMD::bias::ReweightTemperature
- getlowb()
: PLMD::HistogramBead
- getLpNorm()
: PLMD::ves::CoeffsVector
- getMarginal()
: PLMD::ves::TargetDistribution
- getMarginalDistributionGrid()
: PLMD::ves::TargetDistribution
- getMartiniSFparam()
: PLMD::isdb::SAXS
- getMass()
: PLMD::ActionAtomistic
, PLMD::Units
- getMasses()
: PLMD::MDAtomsBase
, PLMD::MDAtomsTyped< T >
- getMassString()
: PLMD::Units
- getMatrix()
: PLMD::FlexibleBin
, PLMD::KernelFunctions
- getMatrixAction()
: PLMD::adjmat::AdjacencyMatrixVessel
- getMatrixFromDRot()
: PLMD::RMSD
- getMatrixIndex()
: PLMD::ves::CoeffsMatrix
- getMatrixIndices()
: PLMD::adjmat::AdjacencyMatrixVessel
- getMax()
: PLMD::Grid
, PLMD::gridtools::GridVessel
- getMaxAbsValue()
: PLMD::ves::CoeffsVector
- getMaxSize()
: PLMD::SparseGrid
- getMaxValue()
: PLMD::Grid
, PLMD::SparseGrid
, PLMD::ves::CoeffsMatrix
, PLMD::ves::CoeffsVector
- getMDforces()
: PLMD::MDAtomsBase
, PLMD::MDAtomsTyped< T >
- getMDKBoltzmann()
: PLMD::Atoms
- getMDUnits()
: PLMD::Atoms
- getMetaDer()
: PLMD::isdb::MetainferenceBase
- getMethod()
: PLMD::RMSD
- getMetric()
: PLMD::analysis::Analysis
- getMetricName()
: PLMD::analysis::Analysis
- getMin()
: PLMD::Grid
, PLMD::gridtools::GridVessel
- getMinAbsValue()
: PLMD::ves::CoeffsVector
- getMinimumValue()
: PLMD::Minimise1DBrent< FCLASS >
- getMinMaxBin()
: PLMD::BiasRepresentation
, PLMD::function::FilesHandler
- getMinValue()
: PLMD::Grid
, PLMD::SparseGrid
, PLMD::ves::CoeffsMatrix
, PLMD::ves::CoeffsVector
- getMode()
: PLMD::FileBase
- getModifedTargetDistValue()
: PLMD::ves::TargetDistModifer
, PLMD::ves::WellTemperedModifer
- getMPIType()
: PLMD::Communicator
- getMultipleValue()
: PLMD::ves::BasisFunctions
- getMultiRMSDType()
: PLMD::ReferenceConfigurationOptions
- getName()
: PLMD::Action
, PLMD::BiasRepresentation
, PLMD::lepton::Operation
, PLMD::ReferenceConfiguration
, PLMD::Value
, PLMD::vesselbase::Vessel
- getNamedAtomFromResidue()
: PLMD::PDB
- getNamedAtomFromResidueAndChain()
: PLMD::PDB
- getNames()
: PLMD::BiasRepresentation
- getNarg()
: PLMD::isdb::MetainferenceBase
- getNatoms()
: PLMD::Atoms
- getNbin()
: PLMD::Grid
, PLMD::gridtools::GridVessel
- getNearestNeighbors()
: PLMD::Grid
- getNeighbors()
: PLMD::Grid
, PLMD::gridtools::GridVessel
, PLMD::NeighborList
- getNextToken()
: PLMD::lepton::Parser
- getNLTolerance()
: PLMD::vesselbase::ActionWithVessel
, PLMD::vesselbase::Vessel
- getNodePosition()
: PLMD::adjmat::AdjacencyMatrixVessel
- getNodePropertyDerivatives()
: PLMD::adjmat::ClusterAnalysisBase
- getNorm()
: PLMD::ves::CoeffsVector
, PLMD::vesselbase::AveragingVessel
- getNormalization()
: PLMD::ves::TD_VonMises
- getNumArguments()
: PLMD::lepton::CustomFunction
, PLMD::lepton::Operation
- getNumberActive()
: PLMD::DynamicList< T >
, PLMD::MultiValue
- getNumberOfArguments()
: PLMD::ActionWithArguments
, PLMD::ReferenceValuePack
, PLMD::ves::LinearBasisSetExpansion
, PLMD::vesselbase::ActionWithAveraging
- getNumberOfAtomBlocks()
: PLMD::PDB
- getNumberOfAtoms()
: PLMD::ActionAtomistic
, PLMD::multicolvar::AtomValuePack
, PLMD::ReferenceAtoms
, PLMD::ReferenceValuePack
- getNumberOfAtomsInGroup()
: PLMD::adjmat::ActionWithInputMatrix
- getNumberOfAtomsWithDerivatives()
: PLMD::multicolvar::CatomPack
- getNumberOfBaseMultiColvars()
: PLMD::multicolvar::MultiColvarBase
- getNumberOfBasisFunctions()
: PLMD::ves::BasisFunctions
, PLMD::ves::LinearBasisSetExpansion
- getNumberOfBufferPoints()
: PLMD::gridtools::GridVessel
, PLMD::gridtools::HistogramOnGrid
- getNumberOfCells()
: PLMD::LinkCells
- getNumberOfClusters()
: PLMD::adjmat::ClusterAnalysisBase
, PLMD::adjmat::ClusteringBase
- getNumberOfCoeffs()
: PLMD::ves::LinearBasisSetExpansion
- getNumberOfColumns()
: PLMD::adjmat::AdjacencyMatrixVessel
- getNumberOfComponents()
: PLMD::ActionWithValue
, PLMD::gridtools::AverageOnGrid
, PLMD::gridtools::GridVessel
, PLMD::vesselbase::StoreDataVessel
- getNumberOfComponentsInVector()
: PLMD::crystallization::VectorMultiColvar
- getNumberOfDataPoints()
: PLMD::analysis::Analysis
- getNumberOfDataUsers()
: PLMD::vesselbase::StoreDataVessel
- getNumberOfDerivatives()
: PLMD::ActionWithValue
, PLMD::adjmat::ActionWithInputMatrix
, PLMD::adjmat::ClusterWithSurface
, PLMD::analysis::Histogram
, PLMD::bias::Bias
, PLMD::bias::ReweightBase
, PLMD::colvar::Energy
, PLMD::Colvar
, PLMD::function::Function
, PLMD::generic::FitToTemplate
, PLMD::generic::Read
, PLMD::generic::Time
, PLMD::gridtools::ActionWithIntegral
, PLMD::gridtools::ContourFindingBase
, PLMD::isdb::MetainferenceBase
, PLMD::manyrestraints::ManyRestraintsBase
, PLMD::mapping::Mapping
, PLMD::mapping::PCAVars
, PLMD::multicolvar::AtomValuePack
, PLMD::multicolvar::BridgedMultiColvarFunction
, PLMD::multicolvar::MultiColvarBase
, PLMD::MultiValue
, PLMD::ReferenceValuePack
, PLMD::secondarystructure::SecondaryStructureRMSD
, PLMD::Value
, PLMD::ves::Optimizer
, PLMD::vesselbase::ActionWithAveraging
, PLMD::vesselbase::ActionWithVessel
, PLMD::vesselbase::StoreDataVessel
- getNumberOfDerivativeSpacesPerComponent()
: PLMD::vesselbase::StoreDataVessel
- getNumberOfDimensions()
: PLMD::BiasRepresentation
- getNumberOfFrames()
: PLMD::analysis::LandmarkSelectionBase
- getNumberOfFunctionsInAction()
: PLMD::secondarystructure::SecondaryStructureRMSD
- getNumberOfKernels()
: PLMD::BiasRepresentation
- getNumberOfLandmarks()
: PLMD::analysis::AnalysisWithLandmarks
, PLMD::analysis::LandmarkSelectionBase
- getNumberOfMappedPoints()
: PLMD::PointWiseMapping
- getNumberOfNodes()
: PLMD::adjmat::ActionWithInputMatrix
, PLMD::adjmat::ClusterAnalysisBase
, PLMD::adjmat::ClusterWithSurface
- getNumberOfNodeTypes()
: PLMD::adjmat::ActionWithInputMatrix
, PLMD::adjmat::AdjacencyMatrixBase
- getNumberOfPoints()
: PLMD::gridtools::GridVessel
- getNumberOfProjectionArguments()
: PLMD::ves::VesBias
- getNumberOfProperties()
: PLMD::mapping::Mapping
, PLMD::PointWiseMapping
- getNumberOfQuantities()
: PLMD::adjmat::ActionWithInputMatrix
, PLMD::adjmat::ClusterAnalysisBase
, PLMD::adjmat::ClusterWithSurface
, PLMD::adjmat::TopologyMatrix
, PLMD::analysis::Histogram
, PLMD::crystallization::Gradient
, PLMD::crystallization::VectorMultiColvar
, PLMD::gridtools::ConvertToFES
, PLMD::gridtools::FindContour
, PLMD::gridtools::FindContourSurface
, PLMD::gridtools::FindSphericalContour
, PLMD::gridtools::GridVessel
, PLMD::gridtools::InterpolateGrid
, PLMD::multicolvar::ActionVolume
, PLMD::multicolvar::DistanceFromContour
, PLMD::multicolvar::LocalAverage
, PLMD::multicolvar::MultiColvarDensity
, PLMD::multicolvar::MultiColvarFilter
, PLMD::secondarystructure::SecondaryStructureRMSD
, PLMD::vesselbase::ActionWithVessel
- getNumberOfReferenceArguments()
: PLMD::ReferenceArguments
, PLMD::ReferenceConfiguration
- getNumberOfReferenceFrames()
: PLMD::MultiReferenceBase
- getNumberOfReferencePoints()
: PLMD::mapping::Mapping
- getNumberOfReferencePositions()
: PLMD::ReferenceAtoms
, PLMD::ReferenceConfiguration
- getNumberOfRows()
: PLMD::adjmat::AdjacencyMatrixVessel
- getNumberOfStoredValues()
: PLMD::vesselbase::StoreDataVessel
- getNumberOfTargetDistributionPntrs()
: PLMD::ves::VesBias
- getNumberOfValues()
: PLMD::MultiValue
- getNumberOfVessels()
: PLMD::vesselbase::ActionWithVessel
- getNumericalLabel()
: PLMD::vesselbase::Vessel
- getNumOperations()
: PLMD::lepton::ExpressionProgram
- getNumThreads()
: PLMD::OpenMP
, PLMD::PlumedMain
- getOccupancy()
: PLMD::PDB
- getOFile()
: PLMD::ves::VesBias
- getOneDimensionalIntegrationPointsAndWeights()
: PLMD::ves::GridIntegrationWeights
- getOneDimensionalTrapezoidalWeights()
: PLMD::ves::GridIntegrationWeights
- getOperation()
: PLMD::lepton::ExpressionProgram
, PLMD::lepton::ExpressionTreeNode
- getOperatorOperation()
: PLMD::lepton::Parser
- getOptimizerPntr()
: PLMD::ves::VesBias
- getOrder()
: PLMD::ves::BasisFunctions
- getOutputAction()
: PLMD::vesselbase::BridgeVessel
- getOutputFmt()
: PLMD::ves::CoeffsBase
- getOutputFormat()
: PLMD::analysis::Analysis
- getOutputQuantity()
: PLMD::ActionWithValue
- getOutputValue()
: PLMD::vesselbase::ValueVessel
- getParsedLine()
: PLMD::Tools
- getPath()
: PLMD::FileBase
- getPbc()
: PLMD::ActionAtomistic
, PLMD::Atoms
, PLMD::multicolvar::VolumeGradientBase
- getPeriodicityInformation()
: PLMD::analysis::Analysis
- getPntrsToArguments()
: PLMD::ves::LinearBasisSetExpansion
- getPntrsToBasisFunctions()
: PLMD::ves::LinearBasisSetExpansion
- getPntrToAction()
: PLMD::Value
, PLMD::ves::BasisFunctions
, PLMD::ves::CoeffsBase
, PLMD::ves::TargetDistribution
- getPntrToArgument()
: PLMD::ActionWithArguments
, PLMD::vesselbase::ActionWithInputVessel
- getPntrToBiasCoeffs()
: PLMD::ves::LinearBasisSetExpansion
- getPntrToBiasGrid()
: PLMD::ves::LinearBasisSetExpansion
- getPntrToComponent()
: PLMD::ActionWithValue
- getPntrToMultiColvar()
: PLMD::multicolvar::BridgedMultiColvarFunction
- getPntrToValue()
: PLMD::ActionWithValue
- getPntrToVesBias()
: PLMD::ves::BasisFunctions
, PLMD::ves::CoeffsBase
, PLMD::ves::TargetDistribution
- getPntrToVessel()
: PLMD::vesselbase::ActionWithVessel
- getPoint()
: PLMD::Grid
- getPointerFromLabel()
: PLMD::ves::VesTools
- getPointersFromLabels()
: PLMD::ves::VesTools
- getPosition()
: PLMD::ActionAtomistic
, PLMD::multicolvar::AtomValuePack
, PLMD::multicolvar::VolumeGradientBase
, PLMD::PDB
- getPositionInCurrentTaskList()
: PLMD::vesselbase::ActionWithVessel
- getPositionInFullTaskList()
: PLMD::vesselbase::ActionWithVessel
- getPositionOfAtomForLinkCells()
: PLMD::adjmat::ActionWithInputMatrix
, PLMD::adjmat::ClusterAnalysisBase
, PLMD::adjmat::ClusterWithSurface
, PLMD::multicolvar::BridgedMultiColvarFunction
, PLMD::multicolvar::MultiColvarBase
- getPositions()
: PLMD::ActionAtomistic
, PLMD::MDAtomsBase
, PLMD::MDAtomsTyped< T >
, PLMD::PDB
- getPositionsCenter()
: PLMD::RMSDCoreData
- getPositionsCenterIsRemoved()
: PLMD::RMSDCoreData
- getProjection()
: PLMD::ActionWithArguments
- getProjectionArgument()
: PLMD::ves::VesBias
- getProjectionArguments()
: PLMD::ves::VesBias
- getProjectionCoordinate()
: PLMD::PointWiseMapping
- getPropertiesOfNode()
: PLMD::adjmat::ClusterAnalysisBase
- getPropertyIndex()
: PLMD::mapping::Mapping
, PLMD::PointWiseMapping
- getPropertyName()
: PLMD::mapping::Mapping
, PLMD::PointWiseMapping
- getPropertyValue()
: PLMD::mapping::Mapping
, PLMD::PointWiseMapping
- getPtrToValue()
: PLMD::BiasRepresentation
- getPtrToValues()
: PLMD::BiasRepresentation
- getRealPrecision()
: PLMD::Atoms
, PLMD::MDAtomsBase
, PLMD::MDAtomsTyped< T >
- getReducedAtomList()
: PLMD::NeighborList
- getReference()
: PLMD::RMSD
- getReferenceArgument()
: PLMD::ReferenceArguments
, PLMD::ReferenceConfiguration
- getReferenceArguments()
: PLMD::ReferenceArguments
, PLMD::ReferenceConfiguration
- getReferenceCenter()
: PLMD::RMSDCoreData
- getReferenceCenterIsRemoved()
: PLMD::RMSDCoreData
- getReferenceConfiguration()
: PLMD::mapping::Mapping
- getReferenceConfigurations()
: PLMD::MultiReferenceBase
- getReferenceMetric()
: PLMD::ReferenceArguments
, PLMD::ReferenceConfiguration
- getReferencePosition()
: PLMD::ReferenceAtoms
- getReferencePositions()
: PLMD::ReferenceAtoms
, PLMD::ReferenceConfiguration
- getRemark()
: PLMD::PDB
- getResidueName()
: PLMD::PDB
, PLMD::SetupMolInfo
- getResidueNumber()
: PLMD::PDB
, PLMD::SetupMolInfo
- getResidueRange()
: PLMD::PDB
- getRestart()
: PLMD::Action
, PLMD::PlumedMain
- getRMS()
: PLMD::ves::CoeffsVector
- getRootNode()
: PLMD::lepton::ParsedExpression
- getRotationMatrixPositionsToReference()
: PLMD::RMSDCoreData
- getRotationMatrixReferenceToPositions()
: PLMD::RMSDCoreData
- getRow()
: PLMD::TensorGeneric< n, m >
- getScore()
: PLMD::isdb::MetainferenceBase
- getSeparation()
: PLMD::multicolvar::MultiColvarBase
- getSigma()
: PLMD::multicolvar::ActionVolume
- getSize()
: PLMD::Grid
, PLMD::SparseGrid
, PLMD::ves::BasisFunctions
, PLMD::ves::CoeffsMatrix
, PLMD::ves::CoeffsVector
- getSizeOfAtomsWithDerivatives()
: PLMD::multicolvar::BridgedMultiColvarFunction
- getSizeOfBuffer()
: PLMD::vesselbase::ActionWithVessel
, PLMD::vesselbase::Vessel
- getSizeOfDerivativeList()
: PLMD::vesselbase::StoreDataVessel
- getSizeOfInputVectors()
: PLMD::adjmat::AdjacencyMatrixBase
- getSortIndices()
: PLMD::MultiValue
- getSplineNeighbors()
: PLMD::Grid
, PLMD::gridtools::GridVessel
- getStackSize()
: PLMD::lepton::ExpressionProgram
- getStep()
: PLMD::Action
, PLMD::PlumedMain
- getStepOfLastBiasGridUpdate()
: PLMD::ves::LinearBasisSetExpansion
- getStepOfLastBiasWithoutCutoffGridUpdate()
: PLMD::ves::LinearBasisSetExpansion
- getStepOfLastFesGridUpdate()
: PLMD::ves::LinearBasisSetExpansion
- getStepSize()
: PLMD::ves::Optimizer
- getStepSizes()
: PLMD::ves::Optimizer
- getStoreIndex()
: PLMD::vesselbase::StoreDataVessel
- getStoreIndexFromMatrixIndices()
: PLMD::adjmat::AdjacencyMatrixVessel
- getStride()
: PLMD::ActionPilot
, PLMD::gridtools::GridVessel
, PLMD::NeighborList
- getSuffix()
: PLMD::FileBase
, PLMD::PlumedMain
- getSupport()
: PLMD::KernelFunctions
- getTargetDistAveragesPntr()
: PLMD::ves::VesBias
- getTargetDistAveragesPntrs()
: PLMD::ves::Optimizer
, PLMD::ves::VesBias
- getTargetDistFileFmt()
: PLMD::ves::VesBias
- getTargetDistGridPntr()
: PLMD::ves::TargetDistribution
- getTargetDistOutputFilename()
: PLMD::ves::VesBias
- getTargetDistOutputStride()
: PLMD::ves::Optimizer
- getTargetDistProjOutputStride()
: PLMD::ves::Optimizer
- getTargetDistRestartFileFmt()
: PLMD::ves::VesBias
- getTargetDistributionIntegrals()
: PLMD::ves::BasisFunctions
- getTargetDistributionPntrs()
: PLMD::ves::VesBias
- getTaskCode()
: PLMD::vesselbase::ActionWithVessel
- getTemporyDerivative()
: PLMD::MultiValue
- getTemporyMultiValue()
: PLMD::vesselbase::BridgeVessel
, PLMD::vesselbase::StoreDataVessel
- getText()
: PLMD::lepton::ParseToken
- getThreadNum()
: PLMD::OpenMP
- getTime()
: PLMD::Action
, PLMD::Units
- getTimeStep()
: PLMD::Action
, PLMD::Atoms
- getTimeString()
: PLMD::Units
- getTimeValue()
: PLMD::ves::CoeffsBase
- getTolerance()
: PLMD::vesselbase::ActionWithVessel
, PLMD::vesselbase::Vessel
- getTotAtoms()
: PLMD::ActionAtomistic
- getTransitionBarrierBias()
: PLMD::bias::MetaD
- getTrueIndex()
: PLMD::vesselbase::StoreDataVessel
- getType()
: PLMD::gridtools::GridVessel
, PLMD::lepton::ParseToken
, PLMD::ves::BasisFunctions
, PLMD::ves::CoeffsBase
, PLMD::ves::Optimizer
- getTypeStr()
: PLMD::ves::CoeffsBase
- getUnderlyingMultiValue()
: PLMD::multicolvar::AtomValuePack
- getUniformIntegrals()
: PLMD::ves::BasisFunctions
- getUnique()
: PLMD::ActionAtomistic
- getUniqueLocal()
: PLMD::ActionAtomistic
- getUnits()
: PLMD::Atoms
- getValue()
: PLMD::Grid
, PLMD::lepton::Operation
, PLMD::multicolvar::AtomValuePack
, PLMD::SparseGrid
, PLMD::ves::BasisFunctions
, PLMD::ves::BF_Powers
, PLMD::ves::CoeffsMatrix
, PLMD::ves::CoeffsVector
, PLMD::ves::TargetDistribution
, PLMD::ves::TD_Chi
, PLMD::ves::TD_ChiSquared
, PLMD::ves::TD_Custom
, PLMD::ves::TD_Exponential
, PLMD::ves::TD_ExponentiallyModifiedGaussian
, PLMD::ves::TD_Gaussian
, PLMD::ves::TD_GeneralizedExtremeValue
, PLMD::ves::TD_GeneralizedNormal
, PLMD::ves::TD_Grid
, PLMD::ves::TD_LinearCombination
, PLMD::ves::TD_ProductCombination
, PLMD::ves::TD_ProductDistribution
, PLMD::ves::TD_Uniform
, PLMD::ves::TD_VonMises
, PLMD::ves::TD_WellTempered
- getValueAndDerivatives()
: PLMD::Grid
, PLMD::gridtools::GridVessel
, PLMD::SparseGrid
- getValueForTask()
: PLMD::multicolvar::Density
- getVariableReference()
: PLMD::lepton::CompiledExpression
- getVariables()
: PLMD::lepton::CompiledExpression
- getVectorOfValues()
: PLMD::gridtools::HistogramOnGrid
- getVesselWithName()
: PLMD::vesselbase::ActionWithVessel
- getVirial()
: PLMD::Atoms
- getVirtualAtomsAction()
: PLMD::Atoms
- getVolume()
: PLMD::gridtools::ActionWithIntegral
- getWeight()
: PLMD::analysis::Analysis
, PLMD::mapping::Mapping
, PLMD::MultiReferenceBase
, PLMD::ReferenceConfiguration
- getWeightOfFrame()
: PLMD::analysis::LandmarkSelectionBase
- getWords()
: PLMD::Tools
- getWork()
: PLMD::PlumedMain
- getWstride()
: PLMD::isdb::MetainferenceBase
- GEVdiagonal()
: PLMD::ves::TD_GeneralizedExtremeValue
- gfinalize()
: PLMD::Plumed
- Ghost()
: PLMD::vatom::Ghost
- ginitialized()
: PLMD::Plumed
- global()
: PLMD::Plumed
- Gradient()
: PLMD::crystallization::Gradient
, PLMD::ves::Optimizer
, PLMD::ves::VesBias
- GradientVessel()
: PLMD::crystallization::GradientVessel
- GREX()
: PLMD::GREX
- Grid()
: PLMD::Grid
- GridPrintingBase()
: PLMD::gridtools::GridPrintingBase
- GridToXYZ()
: PLMD::gridtools::GridToXYZ
- GridVessel()
: PLMD::gridtools::GridVessel
- Group()
: PLMD::generic::Group
- Gyration()
: PLMD::colvar::Gyration