Here is a list of all functions with links to the classes they belong to:
- a -
- ABMD() : PLMD::bias::ABMD
- Abort() : PLMD::Communicator
- Abs() : PLMD::lepton::Operation::Abs
- AcceleratorHandler() : PLMD::GridBase::AcceleratorHandler
- Accumulate() : PLMD::generic::Accumulate
- Acos() : PLMD::lepton::Operation::Acos
- Action() : PLMD::Action
- ActionAnyorder() : PLMD::ActionAnyorder
- ActionAtomistic() : PLMD::ActionAtomistic
- ActionForInterface() : PLMD::ActionForInterface
- actionHasForces() : PLMD::ActionAtomistic, PLMD::generic::DumpAtoms, PLMD::generic::DumpMassCharge, PLMD::generic::FitToTemplate, PLMD::generic::Plumed, PLMD::generic::PrintNDX, PLMD::generic::WholeMolecules, PLMD::generic::WrapAround
- ActionOptions() : PLMD::ActionOptions
- ActionPilot() : PLMD::ActionPilot
- actionRegister() : PLMD::ActionRegister
- ActionRegistration() : PLMD::ActionRegistration< ActionClass >
- ActionSet() : PLMD::ActionSet
- ActionSetup() : PLMD::ActionSetup
- ActionShortcut() : PLMD::ActionShortcut
- ActionToGetData() : PLMD::ActionToGetData
- ActionToPutData() : PLMD::ActionToPutData
- ActionVolume() : PLMD::volumes::ActionVolume< T >
- ActionWithArguments() : PLMD::ActionWithArguments
- ActionWithGrid() : PLMD::gridtools::ActionWithGrid
- ActionWithMatrix() : PLMD::ActionWithMatrix
- ActionWithValue() : PLMD::ActionWithValue
- ActionWithVector() : PLMD::ActionWithVector
- ActionWithVirtualAtom() : PLMD::ActionWithVirtualAtom, PLMD::vatom::ActionWithVirtualAtom
- activate() : PLMD::Action, PLMD::ves::CoeffsBase
- activateParseOnlyMode() : PLMD::PlumedMain
- adaptive_random_search() : PLMD::maze::Memetic
- AdaptivePath() : PLMD::mapping::AdaptivePath
- Add() : PLMD::lepton::Operation::Add
- add() : PLMD::ActionRegister, PLMD::CLToolRegister, PLMD::Keywords, PLMD::RegisterBase< Content >, PLMD::Value
- add_force() : PLMD::DataPassingObject, PLMD::DataPassingObjectTyped< T >
- add_point() : PLMD::metatomic::vesin::cpu::CellList
- addActionNameSuffix() : PLMD::Keywords
- addArgument() : PLMD::gridtools::KDEHelper< K, P, G >
- addBlockEnd() : PLMD::PDB
- addCenter() : PLMD::RMSD
- addCoeffsSet() : PLMD::ves::VesBias
- addCoeffsSetIDsToFilenames() : PLMD::ves::Optimizer
- addCommentToShortcutOutput() : PLMD::ActionShortcut
- addComponent() : PLMD::ActionWithValue
- addComponentWithDerivatives() : PLMD::ActionWithValue, PLMD::colvar::MultiColvarTemplate< T >, PLMD::function::Function
- AddConstant() : PLMD::lepton::Operation::AddConstant
- addConstantField() : PLMD::OFile
- addDependency() : PLMD::Action
- addDeprecatedFlag() : PLMD::Keywords
- addDeprecatedKeyword() : PLMD::Keywords
- addDerivative() : PLMD::Value
- addDOI() : PLMD::Keywords
- addFlag() : PLMD::Keywords
- addForce() : PLMD::ActionAtomistic, PLMD::Value
- addForces() : PLMD::Value
- addForcesOnArguments() : PLMD::ActionWithArguments
- addFunction() : PLMD::symfunc::ThreeBodyGFunctionsInput
- addGaussian() : PLMD::bias::MetaD, PLMD::bias::PBMetaD
- addGrid() : PLMD::BiasRepresentation
- addGridDerivatives() : PLMD::Value
- addInputKeyword() : PLMD::Keywords
- addKernel() : PLMD::GridBase, PLMD::opes::OPESmetad< mode >
- addKeywordToList() : PLMD::ves::BasisFunctions
- addLinkInDocForFlag() : PLMD::Keywords
- addOrReserve() : PLMD::Keywords
- addOutputComponent() : PLMD::Keywords
- addRemark() : PLMD::PDB
- addRequiredCells() : PLMD::LinkCells
- addToAverage() : PLMD::ves::CoeffsMatrix, PLMD::ves::CoeffsVector
- addToSampledAverages() : PLMD::ves::VesBias
- addToSavedInputLines() : PLMD::ActionShortcut
- addToValue() : PLMD::ves::CoeffsMatrix, PLMD::ves::CoeffsVector
- addToValues() : PLMD::ves::CoeffsMatrix, PLMD::ves::CoeffsVector
- addValue() : PLMD::ActionWithValue, PLMD::Grid, PLMD::GridBase, PLMD::SparseGrid
- addValueAndDerivatives() : PLMD::Grid, PLMD::GridBase, PLMD::SparseGrid
- addValueWithDerivatives() : PLMD::ActionWithValue, PLMD::colvar::MultiColvarTemplate< T >, PLMD::function::Function
- addVectorDerivatives() : PLMD::symfunc::SphericalHarmonic
- AdjacencyMatrixBase() : PLMD::adjmat::AdjacencyMatrixBase< T >
- advanceField() : PLMD::IFile
- alignment() : PLMD::gch::detail::inline_storage< T, InlineCapacity >
- allElementsEqual() : PLMD::Value
- Allgather() : PLMD::Communicator
- Allgatherv() : PLMD::Communicator
- allocate() : PLMD::gch::detail::allocator_interface< Allocator >
- allocate_with_hint() : PLMD::gch::detail::allocator_interface< Allocator >
- allocation_end_ptr() : PLMD::gch::detail::small_vector_base< Allocator, InlineCapacity >
- allocator_inliner() : PLMD::gch::detail::allocator_inliner< Allocator, false >, PLMD::gch::detail::allocator_inliner< Allocator, true >
- allocator_interface() : PLMD::gch::detail::allocator_interface< Allocator >
- allocator_ref() : PLMD::gch::detail::allocator_inliner< Allocator, false >, PLMD::gch::detail::allocator_inliner< Allocator, true >
- allowBiasCutoff() : PLMD::ves::TargetDistribution
- allowedResidue() : PLMD::MolDataClass, PLMD::PDB
- allowIgnoredFields() : PLMD::IFile
- allowNoEOL() : PLMD::IFile
- AlphaBeta() : PLMD::multicolvar::AlphaBeta
- AlphaRMSD() : PLMD::secondarystructure::AlphaRMSD
- Angle() : PLMD::colvar::Angle
- Angles() : PLMD::multicolvar::Angles
- AngularTetra() : PLMD::symfunc::AngularTetra
- ANN() : PLMD::function::annfunc::ANN
- annealing() : PLMD::maze::Memetic
- AntibetaRMSD() : PLMD::secondarystructure::AntibetaRMSD
- append() : PLMD::gch::small_vector< T, InlineCapacity, Allocator >
- append_copies() : PLMD::gch::detail::small_vector_base< Allocator, InlineCapacity >
- append_element() : PLMD::gch::detail::small_vector_base< Allocator, InlineCapacity >
- append_range() : PLMD::gch::detail::small_vector_base< Allocator, InlineCapacity >
- appendSuffix() : PLMD::FileBase
- apply() : PLMD::Action, PLMD::ActionAnyorder, PLMD::ActionSetup, PLMD::ActionShortcut, PLMD::ActionToGetData, PLMD::ActionToPutData, PLMD::ActionWithVector, PLMD::ActionWithVirtualAtom, PLMD::bias::Bias, PLMD::bias::ReweightBase, PLMD::clusters::ClusterDistribution, PLMD::clusters::ClusteringBase, PLMD::clusters::ClusterWeights, PLMD::Colvar, PLMD::colvar::Colvar, PLMD::colvar::Energy, PLMD::colvar::RMSDVector, PLMD::colvar::SelectMassCharge, PLMD::contour::DistanceFromContourBase, PLMD::contour::DumpContour, PLMD::dimred::ArrangePoints, PLMD::dimred::ProjectPoints, PLMD::DomainDecomposition, PLMD::function::Function, PLMD::function::FunctionWithSingleArgument< T >, PLMD::function::SortWithSingleArgument, PLMD::function::Sum, PLMD::generic::Accumulate, PLMD::generic::Collect, PLMD::generic::Committor, PLMD::generic::Constant, PLMD::generic::CreateMask, PLMD::generic::Debug, PLMD::generic::DumpAtoms, PLMD::generic::DumpDerivatives, PLMD::generic::DumpForces, PLMD::generic::DumpMassCharge, PLMD::generic::DumpPDB, PLMD::generic::DumpProjections, PLMD::generic::DumpVector, PLMD::generic::EffectiveEnergyDrift, PLMD::generic::EndPlumed, PLMD::generic::FitToTemplate, PLMD::generic::Flush, PLMD::generic::GatherReplicas, PLMD::generic::Include, PLMD::generic::Plumed, PLMD::generic::Print, PLMD::generic::PrintNDX, 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::DumpGrid, PLMD::gridtools::FindGridOptimum, PLMD::gridtools::GetGridVolumeElement, PLMD::Group, PLMD::isdb::EMMI, PLMD::isdb::MetainferenceBase, PLMD::isdb::Selector, PLMD::landmarks::FarthestPointSampling, PLMD::mapping::PathDisplacements, PLMD::mapping::PathReparameterization, PLMD::matrixtools::InvertMatrix, PLMD::matrixtools::MatrixOperationBase, PLMD::matrixtools::TransposeMatrix, PLMD::metatomic::MetatomicPlumedAction, PLMD::opes::ExpansionCVs, PLMD::Pbc, PLMD::sasa::Colvar, PLMD::valtools::Concatenate, PLMD::valtools::Flatten, PLMD::valtools::SelectWithMask, PLMD::valtools::VStack, PLMD::vatom::ActionWithVirtualAtom, PLMD::vatom::ArgsToVatom, PLMD::ves::BasisFunctions, PLMD::ves::Optimizer, PLMD::ves::OutputBasisFunctions, PLMD::ves::OutputFesBias, PLMD::ves::OutputTargetDistribution, PLMD::ves::TargetDistribution, PLMD::wham::Wham
- apply_bias() : PLMD::eds::EDS, PLMD::fisst::FISST
- applyBiasCutoff() : PLMD::ves::VesBias
- applyForce() : PLMD::Value
- applyForces() : PLMD::ParallelTaskManager< T >
- applyFunctionAllValuesAndDerivatives() : PLMD::Grid
- applyNonZeroRankForces() : PLMD::ActionWithVector, PLMD::adjmat::AdjacencyMatrixBase< T >, PLMD::adjmat::TorsionsMatrix, PLMD::colvar::MultiColvarTemplate< T >, PLMD::colvar::RMSDVector, PLMD::crystdistrib::QuaternionBondProductMatrix, PLMD::function::FunctionOfMatrix< T >, PLMD::function::FunctionOfVector< T >, PLMD::gridtools::FunctionOfGrid< T >, PLMD::gridtools::InterpolateGrid, PLMD::gridtools::KDE< K, P, G >, PLMD::gridtools::Marginal, PLMD::matrixtools::MatrixTimesMatrix< T >, PLMD::matrixtools::MatrixTimesVectorBase< T >, PLMD::matrixtools::OuterProductBase< T >, PLMD::refdist::MatrixProductDiagonal, PLMD::secondarystructure::SecondaryStructureBase< T >, PLMD::symfunc::ThreeBodyGFunctions, PLMD::volumes::ActionVolume< T >
- applyPeriodicity() : PLMD::Value
- applyTargetDistModiferToGrid() : PLMD::ves::TargetDistribution
- arePeriodic() : PLMD::ves::BasisFunctions
- ArgsToVatom() : PLMD::vatom::ArgsToVatom
- ArrangePoints() : PLMD::dimred::ArrangePoints
- Asin() : PLMD::lepton::Operation::Asin
- AsmJitRuntimePtr() : PLMD::lepton::AsmJitRuntimePtr
- Assertion() : PLMD::Exception::Assertion
- assign() : PLMD::gch::small_vector< T, InlineCapacity, Allocator >, PLMD::isdb::CS2BackboneDB
- assign_with_copies() : PLMD::gch::detail::small_vector_base< Allocator, InlineCapacity >
- assign_with_range() : PLMD::gch::detail::small_vector_base< Allocator, InlineCapacity >
- assignOuterProduct() : PLMD::adjmat::MatrixOutput
- assignTags() : PLMD::lepton::ExpressionTreeNode
- assignValues() : PLMD::Value
- at() : PLMD::gch::small_vector< T, InlineCapacity, Allocator >
- Atan() : PLMD::lepton::Operation::Atan
- Atan2() : PLMD::lepton::Operation::Atan2
- atom_kind() : PLMD::isdb::CS2BackboneDB
- AtomicSMAC() : PLMD::symfunc::AtomicSMAC
- AtomNumber() : PLMD::AtomNumber
- AuxCoeffs() : PLMD::ves::Optimizer
- auxiliaryConstructor() : PLMD::TensorTyped< T, n, m >, PLMD::VectorTyped< T, n >
- available() : PLMD::Subprocess
- Average() : PLMD::generic::Average
- averageMatrices() : PLMD::ves::CoeffsMatrix
- averageVectors() : PLMD::ves::CoeffsVector