- a -
- ABMD()
: PLMD::bias::ABMD
- Abort()
: PLMD::Communicator
- Abs()
: PLMD::lepton::Operation
- accumulate()
: PLMD::analysis::AverageVessel
, PLMD::gridtools::AverageOnGrid
, PLMD::gridtools::HistogramOnGrid
- accumulateAverage()
: PLMD::analysis::Average
, PLMD::vesselbase::ActionWithAveraging
- accumulateForce()
: PLMD::gridtools::AverageOnGrid
, PLMD::gridtools::HistogramOnGrid
- accumulateSymmetryFunction()
: PLMD::multicolvar::MultiColvarBase
- Acos()
: PLMD::lepton::Operation
- Action()
: PLMD::Action
- ActionAnyorder()
: PLMD::ActionAnyorder
- ActionAtomistic()
: PLMD::ActionAtomistic
- ActionOptions()
: PLMD::ActionOptions
- ActionPilot()
: PLMD::ActionPilot
- actionRegister()
: PLMD::ActionRegister
- ActionSet()
: PLMD::ActionSet
- ActionSetup()
: PLMD::ActionSetup
- ActionShortcut()
: PLMD::ActionShortcut
- ActionVolume()
: PLMD::multicolvar::ActionVolume
- ActionWithArguments()
: PLMD::ActionWithArguments
- ActionWithAveraging()
: PLMD::vesselbase::ActionWithAveraging
- ActionWithGrid()
: PLMD::gridtools::ActionWithGrid
- ActionWithInputGrid()
: PLMD::gridtools::ActionWithInputGrid
- ActionWithInputMatrix()
: PLMD::adjmat::ActionWithInputMatrix
- ActionWithInputVessel()
: PLMD::vesselbase::ActionWithInputVessel
- ActionWithIntegral()
: PLMD::gridtools::ActionWithIntegral
- ActionWithValue()
: PLMD::ActionWithValue
- ActionWithVessel()
: PLMD::vesselbase::ActionWithVessel
- ActionWithVirtualAtom()
: PLMD::ActionWithVirtualAtom
- activate()
: PLMD::Action
, PLMD::DataFetchingObject
, PLMD::DynamicList< T >
, PLMD::ves::CoeffsBase
- activateAll()
: PLMD::DynamicList< T >
- activateIndices()
: PLMD::vesselbase::StoreDataVessel
- activateThesePoints()
: PLMD::gridtools::GridVessel
- adaptive_random_search()
: PLMD::maze::Memetic
- AdaptivePath()
: PLMD::mapping::AdaptivePath
- add()
: PLMD::ActionRegister
, PLMD::Atoms
, PLMD::CLToolRegister
, PLMD::Keywords
- Add()
: PLMD::lepton::Operation
- add()
: PLMD::MetricRegister
, PLMD::Value
, PLMD::vesselbase::VesselRegister
- addActionThatUses()
: PLMD::vesselbase::StoreDataVessel
- addArgumentDerivatives()
: PLMD::ReferenceValuePack
- addAtomDerivatives()
: PLMD::multicolvar::MultiColvarBase
, PLMD::ReferenceValuePack
- addAtomsDerivatives()
: PLMD::multicolvar::AtomValuePack
- addBlockEnd()
: PLMD::PDB
- addBoxDerivatives()
: PLMD::multicolvar::AtomValuePack
, PLMD::ReferenceValuePack
- addBridgeForces()
: PLMD::multicolvar::MultiColvarFilter
, PLMD::multicolvar::VolumeGradientBase
, PLMD::vesselbase::ActionWithInputVessel
- addBridgingVessel()
: PLMD::vesselbase::ActionWithVessel
- addCenter()
: PLMD::RMSD
- addCoeffsSet()
: PLMD::ves::VesBias
- addCoeffsSetIDsToFilenames()
: PLMD::ves::Optimizer
- addColvar()
: PLMD::secondarystructure::SecondaryStructureRMSD
- addComDerivatives()
: PLMD::multicolvar::AtomValuePack
, PLMD::multicolvar::MultiColvarBase
- addComponent()
: PLMD::ActionWithValue
- addComponentWithDerivatives()
: PLMD::ActionWithValue
, PLMD::function::Function
- addConnectionDerivatives()
: PLMD::adjmat::ActionWithInputMatrix
- AddConstant()
: PLMD::lepton::Operation
- addConstantField()
: PLMD::OFile
- addDataElement()
: PLMD::vesselbase::AveragingVessel
- addDependency()
: PLMD::Action
- addDerivative()
: PLMD::multicolvar::AtomValuePack
, PLMD::MultiValue
, PLMD::Value
- addDerivativesOnMatrixElement()
: PLMD::adjmat::AdjacencyMatrixBase
- addDirection()
: PLMD::Direction
- addFlag()
: PLMD::Keywords
- addForce()
: PLMD::Value
- addForcesOnArguments()
: PLMD::ActionWithArguments
, PLMD::vesselbase::ActionWithInputVessel
- addForcesOnAtoms()
: PLMD::crystallization::VectorMultiColvar
- addGaussian()
: PLMD::bias::MetaD
, PLMD::bias::PBMetaD
- addGrid()
: PLMD::BiasRepresentation
- addIndexToList()
: PLMD::DynamicList< T >
- addKernel()
: PLMD::GridBase
, PLMD::opes::OPESmetad< mode >
- addKeywordToList()
: PLMD::ves::BasisFunctions
- addOneKernelEachTimeOnly()
: PLMD::gridtools::HistogramOnGrid
- addOutputComponent()
: PLMD::Keywords
- addRemark()
: PLMD::PDB
- addRequiredCells()
: PLMD::LinkCells
- addTaskToList()
: PLMD::multicolvar::MultiColvarBase
, PLMD::vesselbase::ActionWithVessel
- addTemporyAtomsDerivatives()
: PLMD::multicolvar::AtomValuePack
- addTemporyBoxDerivatives()
: PLMD::multicolvar::AtomValuePack
- addTemporyDerivative()
: PLMD::MultiValue
- addTemporyValue()
: PLMD::MultiValue
- addToAverage()
: PLMD::ves::CoeffsMatrix
, PLMD::ves::CoeffsVector
- addToGridElement()
: PLMD::gridtools::GridVessel
- addToSampledAverages()
: PLMD::ves::VesBias
- addToValue()
: PLMD::ves::CoeffsMatrix
, PLMD::ves::CoeffsVector
- addToValues()
: PLMD::ves::CoeffsMatrix
, PLMD::ves::CoeffsVector
- addValue()
: PLMD::ActionWithValue
, PLMD::Grid
, PLMD::GridBase
, PLMD::multicolvar::AtomValuePack
, PLMD::MultiValue
, PLMD::SparseGrid
- addValueAndDerivatives()
: PLMD::Grid
, PLMD::GridBase
, PLMD::SparseGrid
- addValueWithDerivatives()
: PLMD::ActionWithValue
, PLMD::function::Function
- addVessel()
: PLMD::vesselbase::ActionWithVessel
, PLMD::vesselbase::ShortcutVessel
- addVirtualAtom()
: PLMD::Atoms
- AdjacencyMatrixBase()
: PLMD::adjmat::AdjacencyMatrixBase
- AdjacencyMatrixVessel()
: PLMD::adjmat::AdjacencyMatrixVessel
- advanceField()
: PLMD::IFile
- AlignedMatrixBase()
: PLMD::adjmat::AlignedMatrixBase
- Allgather()
: PLMD::Communicator
- Allgatherv()
: PLMD::Communicator
- allowBiasCutoff()
: PLMD::ves::TargetDistribution
- allowedResidue()
: PLMD::MolDataClass
- allowIgnoredFields()
: PLMD::IFile
- allowNoEOL()
: PLMD::IFile
- allowToAccessGlobalForces()
: PLMD::ActionAtomistic
- AlphaBeta()
: PLMD::multicolvar::AlphaBeta
- AlphaRMSD()
: PLMD::secondarystructure::AlphaRMSD
- AltMin()
: PLMD::vesselbase::AltMin
- AnalysisBase()
: PLMD::analysis::AnalysisBase
- Angle()
: PLMD::colvar::Angle
- Angles()
: PLMD::multicolvar::Angles
- ANN()
: PLMD::function::annfunc::ANN
- annealing()
: PLMD::maze::Memetic
- AntibetaRMSD()
: PLMD::secondarystructure::AntibetaRMSD
- appendSuffix()
: PLMD::FileBase
- apply()
: PLMD::Action
, PLMD::ActionAnyorder
, PLMD::ActionSetup
, PLMD::ActionShortcut
, PLMD::ActionWithVirtualAtom
, PLMD::adjmat::ClusteringBase
, PLMD::adjmat::DumpGraph
, PLMD::adjmat::OutputCluster
, PLMD::adjmat::Sprint
, PLMD::analysis::AnalysisBase
, PLMD::analysis::Average
, PLMD::analysis::Committor
, PLMD::analysis::Histogram
, PLMD::bias::Bias
, PLMD::bias::ReweightBase
, PLMD::Colvar
, PLMD::function::Function
, PLMD::generic::Debug
, PLMD::generic::DumpAtoms
, PLMD::generic::DumpDerivatives
, PLMD::generic::DumpForces
, PLMD::generic::DumpMassCharge
, PLMD::generic::DumpProjections
, PLMD::generic::EffectiveEnergyDrift
, PLMD::generic::EndPlumed
, PLMD::generic::FitToTemplate
, PLMD::generic::Flush
, PLMD::generic::Group
, PLMD::generic::Include
, PLMD::generic::Plumed
, PLMD::generic::Print
, PLMD::generic::RandomExchanges
, PLMD::generic::Read
, PLMD::generic::ResetCell
, PLMD::generic::Time
, PLMD::generic::UpdateIf
, PLMD::generic::WholeMolecules
, PLMD::generic::WrapAround
, PLMD::GenericMolInfo
, PLMD::gridtools::ActionWithInputGrid
, PLMD::gridtools::ActionWithIntegral
, PLMD::gridtools::GridPrintingBase
, PLMD::isdb::EMMI
, PLMD::isdb::MetainferenceBase
, PLMD::isdb::Selector
, PLMD::manyrestraints::ManyRestraintsBase
, PLMD::mapping::Mapping
, PLMD::mapping::PCAVars
, PLMD::multicolvar::BridgedMultiColvarFunction
, PLMD::multicolvar::DistanceFromContour
, PLMD::multicolvar::DumpMultiColvar
, PLMD::multicolvar::MultiColvarBase
, PLMD::multicolvar::MultiColvarDensity
, PLMD::opes::ExpansionCVs
, PLMD::Pbc
, PLMD::secondarystructure::SecondaryStructureRMSD
, PLMD::ves::BasisFunctions
, PLMD::ves::Optimizer
, PLMD::ves::OutputBasisFunctions
, PLMD::ves::OutputFesBias
, PLMD::ves::OutputTargetDistribution
, PLMD::ves::TargetDistribution
- apply_bias()
: PLMD::eds::EDS
, PLMD::fisst::FISST
- applyBiasCutoff()
: PLMD::ves::VesBias
- applyBridgeForces()
: PLMD::manyrestraints::ManyRestraintsBase
, PLMD::multicolvar::BridgedMultiColvarFunction
, PLMD::vesselbase::ActionWithInputVessel
, PLMD::vesselbase::ActionWithVessel
- applyFilter()
: PLMD::multicolvar::FilterBetween
, PLMD::multicolvar::FilterLess
, PLMD::multicolvar::FilterMore
, PLMD::multicolvar::MultiColvarFilter
- applyForce()
: PLMD::gridtools::GridVessel
, PLMD::mapping::TrigonometricPathVessel
, PLMD::Value
, PLMD::vesselbase::AveragingVessel
, PLMD::vesselbase::BridgeVessel
, PLMD::vesselbase::Moments
, PLMD::vesselbase::ShortcutVessel
, PLMD::vesselbase::StoreDataVessel
, PLMD::vesselbase::ValueVessel
, PLMD::vesselbase::Vessel
- applyForces()
: PLMD::ActionAtomistic
- applyFunctionAllValuesAndDerivatives()
: PLMD::Grid
- applyPbc()
: PLMD::multicolvar::MultiColvarBase
- applyPeriodicity()
: PLMD::Value
- applyTargetDistModiferToGrid()
: PLMD::ves::TargetDistribution
- areConnected()
: PLMD::adjmat::ClusterAnalysisBase
, PLMD::adjmat::ClusteringBase
- arePeriodic()
: PLMD::ves::BasisFunctions
- ArgumentOnlyDistance()
: PLMD::ArgumentOnlyDistance
- Asin()
: PLMD::lepton::Operation
- AsmJitRuntimePtr()
: PLMD::lepton::AsmJitRuntimePtr
- Assertion()
: PLMD::Exception::Assertion
- assign()
: PLMD::isdb::CS2BackboneDB
- assignTags()
: PLMD::lepton::ExpressionTreeNode
- Atan()
: PLMD::lepton::Operation
- Atan2()
: PLMD::lepton::Operation
- atom_kind()
: PLMD::isdb::CS2BackboneDB
- AtomNumber()
: PLMD::AtomNumber
- Atoms()
: PLMD::Atoms
- AtomValuePack()
: PLMD::multicolvar::AtomValuePack
- AuxCoeffs()
: PLMD::ves::Optimizer
- auxiliaryConstructor()
: PLMD::TensorGeneric< n, m >
, PLMD::VectorGeneric< n >
- available()
: PLMD::Subprocess
- Average()
: PLMD::analysis::Average
- averageMatrices()
: PLMD::ves::CoeffsMatrix
- AverageOnGrid()
: PLMD::gridtools::AverageOnGrid
- averageVectors()
: PLMD::ves::CoeffsVector
- AverageVessel()
: PLMD::analysis::AverageVessel
- AveragingVessel()
: PLMD::vesselbase::AveragingVessel