Class Hierarchy

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This inheritance list is sorted roughly, but not completely, alphabetically:
[detail level 123456]
 CPLMD::GridBase::AcceleratorBaseAuxiliary class for accelerating grid calculations
 CPLMD::GridBase::AcceleratorHandlerAuxiliary class for managing AcceleratorBase
 CPLMD::ActionBase class for all the input Actions
 CPLMD::ActionOptionsThis class is used to bring the relevant information to the Action constructor
 CPLMD::ActionRegisterPointers
 CPLMD::ActionRegistration< ActionClass >Each instance of this specialized class represents an action that can be called with the specified directive
 CAllocator
 CPLMD::gch::detail::allocator_inliner< Allocator, AvailableForEBO >
 CPLMD::gch::detail::allocator_inliner< Allocator >
 CPLMD::gch::detail::allocator_inliner< Allocator, false >
 CPLMD::Angle
 CAngleMultiProvides the keyword ANGLE_VECTOR
 CAngleShortcutProvides the keyword ANGLE
 CANNProvides the keyword ANN
 Cstd::array< T >STL class
 CPLMD::lepton::AsmJitRuntimePtr
 CPLMD::Exception::AssertionAuxiliary containing the failed assertion
 CPLMD::AtomNumber
 CPLMD::switchContainers::baseSwitchContainer for the actual switching function used by PLMD::SwitchingFunction
 CBesselShortcutProvides the keyword BESSEL
 CBetweenShortcutProvides the keyword BETWEEN
 CPLMD::BiasRepresentationThis class implements a general purpose class that aims to provide a Grid/list transparently add gaussians to a bias
 Cbool_constant
 CPLMD::metatensor::vesin::BoundingBox
 CPLMD::Brent1DRootSearch< FCLASS >A class for doing parabolic interpolation and minimisation of 1D functions using Brent's method
 CPLMD::gch::detail::small_vector_base< Allocator, InlineCapacity >::bypass_tag
 CPLMD::metatensor::vesin::cpu::CellListThe cell list is used to sort atoms inside bins/cells
 CPLMD::CheckInRange
 CPLMD::isdb::CS2Backbone::ChemicalShift
 CPLMD::Citations
 CPLMD::CLTool
 CPLMD::CLToolOptions
 CPLMD::CLToolRegisterPointers
 CPLMD::ves::CoeffsBase
 CCombineShortcutProvides the keyword COMBINE
 CPLMD::Communicator
 CPLMD::lepton::CompiledExpressionA CompiledExpression is a highly optimized representation of an expression for cases when you want to evaluate it many times as quickly as possible
 CPLMD::MatrixSquareBracketsAccess< T, C, I, J >::Const_rowSmall utility class which just contains a pointer to the T and the row number
 CPLMD::Communicator::ConstDataConst version of Communicator::Data See Communicator::Data documentation
 CPLMD::RegisterBase< Content >::ContentAndFullPathAuxiliary class
 CPLMD::opes::convergence
 CPLMD::Tools::CriticalSectionWithKey< Key >Utility to create named critical sections Key should be usable in a std::map
 CPLMD::isdb::CS2BackboneDB
 CPLMD::Plumed::CString
 CPLMD::lepton::CustomFunctionThis class is the interface for defining your own function that may be included in expressions
 CCustomShortcutProvides the keyword CUSTOM
 CCyHarmShortcutProvides the keyword CYLINDRICAL_HARMONIC
 CPLMD::Communicator::DataStructure defining a buffer for MPI
 CPLMD::DataPassingObject
 CPLMD::DataPassingTools
 CPLMD::gch::default_buffer_size< Allocator >
 CPLMD::maze::tls::delete_ptr
 CPLMD::PlumedMain::DeprecatedAtoms
 CDifferenceShortcutProvides the keyword DIFFERENCE
 CDihedralCorrelationMultiProvides the keyword DIHEDRAL_CORRELATION_VECTOR
 CDihedralCorrelationShortcutProvides the keyword DIHEDRAL_CORRELATION
 CDipoleMultiProvides the keyword DIPOLE_VECTOR
 CDipoleShortcutProvides the keyword DIPOLE
 CPLMD::Tools::DirectoryChangerTiny class that changes directory and comes back when going out of scope
 CDistanceMultiProvides the keyword DISTANCE_VECTOR
 CDistanceShortcutProvides the keyword DISTANCE
 CPLMD::DLLoader
 CDomainDecompositionProvides the keyword DOMAIN_DECOMPOSITION
 CDynamicReferenceRestrainingProvides the keyword <a href="../../user-doc/html/_"_d_r_r.html"> "DRR
 CEMMIVOXProvides the keyword EMMIVOX
 CPLMD::DLLoader::EnsureGlobalDLOpenRAII helper for promoting RTLD_LOCAL loaded objects to RTLD_GLOBAL
 CPLMD::ERMSDA class that implements ERMSD calculations
 Cstd::exceptionSTL class
 CPLMD::ExchangePatterns
 CPLMD::opes::exploration
 CPLMD::lepton::ExpressionProgramAn ExpressionProgram is a linear sequence of Operations for evaluating an expression
 CPLMD::lepton::ExpressionTreeNodeThis class represents a node in the abstract syntax tree representation of an expression
 CPLMD::F1dim< FCLASS >
 Cfalse_type
 CPLMD::Tools::FastStringUnorderedMap< T >Tiny class implementing faster std::string_view access to an unordered_map It exposes a limited number of methods of std::unordered_map
 CPLMD::Tools::FastStringUnorderedMap< PLMD::Stopwatch::Watch >
 CFccubicShortcutProvides the keyword FCCUBIC_FUNC
 CPLMD::ves::FermiSwitchingFunction
 CFieldBase
 CPLMD::FileBase::FieldBaseInternal tool
 CPLMD::FileBaseBase class for dealing with files
 CPLMD::function::FilesHandler
 CPLMD::Plumed::finalize_plumed_errorInternal class to simplify plumed_error finalization
 CPLMD::molfile::fio_iovec
 CPLMD::FlexibleBin
 CPLMD::switchContainers::leptonSwitch::funcAndDerivLepton expression
 CPLMD::function::FunctionTemplateBase
 CPLMD::bias::MetaD::Gaussian
 CPLMD::bias::PBMetaD::Gaussian
 CPLMD::GridBase
 CPLMD::gridtools::GridCoordinatesObject
 CGridCustomProvides the keyword CUSTOM_GRID
 CPLMD::ves::GridIntegrationWeights
 CPLMD::ves::GridLinearInterpolation
 CPLMD::gridtools::GridSearch< FCLASS >
 CGridSumProvides the keyword SUM_GRID
 CPLMD::metatensor::vesin::cpu::GrowableNeighborListWrapper around VesinNeighborList that behaves like a std::vector, automatically growing memory allocations
 CPLMD::Stopwatch::HandlerAuxiliary class for handling exception-safe start/pause and start/stop
 CPLMD::Subprocess::HandlerClass used to cont/stop a Subprocess in an exception safe manner
 CPLMD::Tools::CriticalSectionWithKey< Key >::Handler
 CHighestShortcutProvides the keyword HIGHEST
 CPLMD::HistogramBead
 CPLMD::RegisterBase< Content >::ID
 CPLMD::colvar::PathMSDBase::ImagePathThis class is a general container for path stuff
 CPLMD::colvar::PathMSDBase::imgOrderByDist
 CPLMD::colvar::PathMSDBase::imgOrderBySimilarity
 CPLMD::gch::detail::inline_storage< T, InlineCapacity >
 CPLMD::gch::detail::inline_storage< T, 0 >
 CPLMD::gch::detail::inline_storage< value_ty, InlineCapacity >
 Cintegral_constant
 CPLMD::gridtools::Interpolator
 CPLMD::gch::detail::allocator_interface< Allocator >::is_memcpyable< QualifiedFrom, QualifiedTo, typename std::enable_if< is_complete< QualifiedFrom >::value >::type >
 CPLMD::gch::detail::allocator_interface< Allocator >::is_memcpyable_integral< From, To, typename std::enable_if< is_complete< From >::value >::type >
 Cis_trivially_constructible
 Cis_trivially_destructible
 CPLMD::gch::detail::allocator_interface< Allocator >::is_uninitialized_memcpyable_impl< QualifiedFrom, QualifiedTo >
 CPLMD::gch::detail::allocator_interface< Allocator >::is_uninitialized_memcpyable_impl< From, To >
 CPLMD::opes::OPESmetad< mode >::kernel
 CPLMD::KernelFunctions
 CPLMD::Keywords::KeyTypeThis class lets me pass keyword types easily
 CPLMD::KeywordsThis class holds the keywords and their documentation
 CPLMD::LatticeReductionClass implementing algorithms for lattice reduction
 CPLMD::LeptonCall
 CLessThanShortcutProvides the keyword LESS_THAN
 CPLMD::ves::LinearBasisSetExpansion
 CPLMD::LinkCells
 CPLMD::Exception::LocationAuxiliary containing the location of the exception in the file
 CPLMD::LoopUnroller< n >
 CPLMD::wrapper::make_void< Ts >This is to replace c++17 std::void_t
 CMatrixBetweenProvides the keyword BETWEEN_MATRIX
 CMatrixCombineProvides the keyword COMBINE_MATRIX
 CMatrixCustomProvides the keyword CUSTOM_MATRIX
 CMatrixCyHarmProvides the keyword CYLINDRICAL_HARMONIC_MATRIX
 CMatrixFccubicProvides the keyword FCCUBIC_FUNC_MATRIX
 CMatrixLessThanProvides the keyword LESS_THAN_MATRIX
 CMatrixMoreThanProvides the keyword MORE_THAN_MATRIX
 CMatrixSpHarmProvides the keyword SPHERICAL_HARMONIC_MATRIX
 CPLMD::MatrixSquareBracketsAccess< T, C, I, J >Utility class to add [][] access
 CPLMD::MatrixSquareBracketsAccess< Matrix< double >, double >
 CPLMD::MatrixSquareBracketsAccess< Matrix< std::vector< PLMD::VectorGeneric > >, std::vector< PLMD::VectorGeneric > >
 CPLMD::MatrixSquareBracketsAccess< Matrix< T >, T >
 CPLMD::MatrixSquareBracketsAccess< Matrix< unsigned >, unsigned >
 CPLMD::MatrixSquareBracketsAccess< TensorGeneric< n, m >, double >
 CMatrixSumProvides the keyword SUM_MATRIX
 CPLMD::molfile::md_atom
 CPLMD::molfile::md_box
 CPLMD::molfile::md_file
 CPLMD::molfile::md_header
 CPLMD::molfile::md_ts
 CPLMD::mdMemoryView< N, STRIDE >
 CPLMD::maze::MemberDefines the encoding for a ligand conformation
 CPLMD::MemoryView< N >
 CPLMD::Minimise1DBrent< FCLASS >A class for doing parabolic interpolation and minimisation of 1D functions using Brent's method
 CPLMD::MinimiseBase< FCLASS >
 CPLMD::MinimiseBase< PLMD::dimred::ProjectPoints >
 CPLMD::MolDataClassThis class provides information on various kinds of molecules for instance the kinds of residues that are in a protein the atoms involved in the backbone of a particular residue etc
 CPLMD::molfile::molfile_atom_tPer-atom attributes and information
 CPLMD::molfile::molfile_graphics_tIndividual graphics object/element data
 CPLMD::molfile::molfile_metadata_tFile level comments, origin information, and annotations
 CPLMD::molfile::molfile_plugin_tMain file reader API
 CPLMD::molfile::molfile_qm_basis_tData for QM basis set
 CPLMD::molfile::molfile_qm_hessian_tData from QM Hessian/normal mode runs
 CPLMD::molfile::molfile_qm_metadata_tSizes of various QM-related, timestep independent data arrays which must be allocated by the caller (VMD) so that the plugin can fill in the arrays with data
 CPLMD::molfile::molfile_qm_sysinfo_tQM run info
 CPLMD::molfile::molfile_qm_tQM related information that is timestep independent
 CPLMD::molfile::molfile_qm_timestep_metadataSizes of various QM-related, per-timestep data arrays which must be allocated by the caller (VMD) so that the plugin can fill in the arrays with data
 CPLMD::molfile::molfile_qm_timestep_tQM per trajectory timestep info Note that each timestep can contain multiple wavefunctions
 CPLMD::molfile::molfile_qm_wavefunction_tQM wavefunction
 CPLMD::molfile::molfile_timestep_metadata
 CPLMD::molfile::molfile_timestep_tPer-timestep atom coordinates, velocities, time, energies and periodic cell info
 CPLMD::molfile::molfile_volumetric_readwrite_tVolumetric dataset read/write structure with both flag/parameter sets and VMD-allocated pointers for fields to be used by the plugin
 CPLMD::molfile::molfile_volumetric_tMetadata for volumetric datasets, read initially and used for subsequent memory allocations and file loading
 CMolInfoProvides the keyword MOLINFO
 CMomentsShortcutProvides the keyword MOMENTS
 CMoreThanShortcutProvides the keyword MORE_THAN
 CPLMD::MPI_CommSurrogate of MPI_Comm when MPI library is not available
 CPLMD::MPI_DatatypeSurrogate of MPI_Datatype when MPI library is not available
 CPLMD::MPI_RequestSurrogate of MPI_Request when MPI library is not available
 CPLMD::MPI_StatusSurrogate of MPI_Status when MPI library is not available
 CMQMultiProvides the keyword MASS_VECTOR
 CMQShortcutProvides the keyword MASS
 CPLMD::multicolvar::MultiColvarShortcuts
 CPLMD::MultiValue
 CPLMD::drr::UIestimator::n_matrix
 CPLMD::drr::UIestimator::n_vector< T >
 CPLMD::drr::UIestimator::n_vector< double >
 CPLMD::drr::UIestimator::n_vector< int >
 CPLMD::drr::UIestimator::n_vector< std::vector< double > >
 CPLMD::NeighborList
 Cnothrow
 CPLMD::OpenMP::OpenMPVarsSingleton struct to treat the openMP setting as a global variables, but with a layer of encapsulation
 CPLMD::lepton::OperationAn Operation represents a single step in the evaluation of an expression, such as a function, an operator, or a constant value
 COPESmetad_cProvides the keyword OPES_METAD
 COPESmetad_eProvides the keyword OPES_METAD_EXPLORE
 CPLMD::function::FuncPathMSD::ordering
 CPLMD::function::FuncPathGeneral::pairordering
 CPLMD::function::FuncPathMSD::pairordering
 CPLMD::lepton::ParsedExpressionThis class represents the result of parsing an expression
 CPLMD::lepton::ParserThis class provides the main interface for parsing expressions
 CPLMD::lepton::ParseToken
 CPLMD::mapping::PathProjectionCalculator
 CPLMD::Pbc
 CPLMD::PDBMinimalistic pdb parser
 CPiecewiseShortcutProvides the keyword PIECEWISE
 CPlaneMultiProvides the keyword PLANE_VECTOR
 CPlaneShortcutProvides the keyword PLANE
 CplumedMain plumed object
 CPLMD::PlumedC++ wrapper for plumed
 Cplumed_errorSmall structure that is only defined locally to retrieve errors
 Cplumed_error_filesystem_path
 CPLMD::PlumedMain::plumed_error_handlerError handler
 Cplumed_function_holder
 Cplumed_nothrow_handler
 Cplumed_nothrow_handler_x
 Cplumed_plumedmain_function_holder_xContainer for plumedmain function pointers (create, cmd and finalize)
 Cplumed_safeptrStructure holding a typesafe pointer
 Cplumed_safeptr_x
 Cplumed_symbol_table_type_xContainer for symbol table
 CPLMD::metatensor::vesin::cpu::CellList::PointCells themselves are a list of points & corresponding shift to place the point inside the cell
 CPositionMultiProvides the keyword POSITION_VECTOR
 CPositionShortcutProvides the keyword POSITION
 CPytorchModelProvides the keyword PYTORCH_MODEL
 CQuaternionMultiProvides the keyword QUATERNION_VECTOR
 CQuaternionShortcutProvides the keyword QUATERNION
 CPLMD::Random
 CPLMD::RegisterBase class, with type independent information
 CPLMD::Register::RegistrationLockSmall class to manage registration lock This is used during dlopen, to avoid data races in registrations
 CPLMD::Communicator::RequestWrapper class for MPI_Request
 CPLMD::Plumed::rethrow_nestedInternal class used by exception_dispatch
 CPLMD::Plumed::rethrow_not_nestedInternal class used by exception_dispatch
 CPLMD::isdb::CS2Backbone::RingInfo
 CPLMD::RMSD
 CPLMD::RMSDCoreDataThis is a class which is needed to share information across the various non-threadsafe routines so that the public function of rmsd are threadsafe while the inner core can safely share information
 CPLMD::maze::rndMersenne Twister sampler for random variables
 CPLMD::RootFindingBase< FCLASS >
 CPLMD::RootFindingBase< PLMD::contour::ContourFindingBase >
 CPLMD::RootFindingBase< PLMD::contour::DistanceFromContourBase >
 CPLMD::MatrixSquareBracketsAccess< T, C, I, J >::RowSmall utility class which just contains a pointer to the T and the row number
 CPLMD::Plumed::SafePtrSmall class that wraps plumed_safeptr in order to make its initialization easier
 CScalarBesselProvides the keyword BESSEL_SCALAR
 CScalarCombineProvides the keyword COMBINE_SCALAR
 CScalarCustomProvides the keyword CUSTOM_SCALAR
 CScalarDifferenceProvides the keyword DIFFERENCE_SCALAR
 CScalarEvalGridProvides the keyword EVALUATE_FUNCTION_FROM_GRID_SCALAR
 CScalarHighestProvides the keyword HIGHEST_SCALAR
 CScalarMomentsProvides the keyword MOMENTS_SCALAR
 CScalarPiecewiseProvides the keyword PIECEWISE_SCALAR
 CScalarSortProvides the keyword SORT_SCALAR
 CScalarSumProvides the keyword SUM_SCALAR
 CPLMD::piv::PIV::SharedDataLocal structure, used to store data that should be shared across multiple PIV instances
 CPLMD::Plumed::SizeLikeSmall structure used to pass elements of a shape initializer_list
 CPLMD::WithCmd::SizeLikeSmall structure used to pass elements of a shape initializer_list
 CPLMD::TypesafePtr::SizeLikeSmall structure used to pass elements of a shape initializer_list
 CPLMD::dimred::SMACOF
 CPLMD::gch::small_vector< T, InlineCapacity, Allocator >
 CPLMD::gch::small_vector< PLMD::VectorGeneric, maxshiftsize >
 CPLMD::gch::detail::small_vector_data_base< Pointer, SizeT >
 CPLMD::gch::detail::small_vector_data_base< ptr, size_type >
 CPLMD::gch::small_vector_iterator< Pointer, DifferenceType >
 CSortShortcutProvides the keyword SORT
 CSpHarmShortcutProvides the keyword SPHERICAL_HARMONIC
 CPLMD::isdb::SAXS::SplineCoeffs
 CPLMD::gch::detail::small_vector_base< Allocator, InlineCapacity >::stack_temporary
 CPLMD::Communicator::StatusWrapper class for MPI_Status
 CPLMD::Stopwatch
 CPLMD::gch::detail::small_vector_base< Allocator, InlineCapacity >::strong_exception_policy
 CPLMD::SubprocessClass managing a subprocess
 CPLMD::SubprocessPidSmall utility class, used to avoid inclusion of unistd.h> in a header file
 CSumShortcutProvides the keyword SUM
 CPLMD::SwitchingFunction
 CT
 CPLMD::xdrfile::t_trnheader
 CPLMD::TargetDist
 CPLMD::ves::TargetDistModifer
 CPLMD::bias::MetaD::TemperingSpecs
 CPLMD::TensorGenericAuxSmall class to contain local utilities
 CPLMD::Exception::ThrowAuxiliary class used to throw exceptions
 CPLMD::maze::tlsHelper functions
 CPLMD::Tools
 CPLMD::Torsion
 CTorsionMultiProvides the keyword TORSION_VECTOR
 CTorsionShortcutProvides the keyword TORSION
 CPLMD::Tree
 Ctrue_type
 CPLMD::molfile::trx_hdr
 CPLMD::TypesafePtr
 CPLMD::drr::UIestimator::UIestimator
 CPLMD::gch::detail::allocator_interface< Allocator >::underlying_if_enum< T, Enable >
 Cunderlying_type
 Cstd::unique_ptr< T >STL class
 CPLMD::Units
 CPLMD::Value
 Cstd::vector< T >STL class
 CVectorBesselProvides the keyword BESSEL_VECTOR
 CVectorBetweenProvides the keyword BETWEEN_VECTOR
 CVectorCombineProvides the keyword COMBINE_VECTOR
 CVectorCustomProvides the keyword CUSTOM_VECTOR
 CVectorDifferenceProvides the keyword DIFFERENCE_VECTOR
 CVectorEvalGridProvides the keyword EVALUATE_FUNCTION_FROM_GRID_VECTOR
 CPLMD::VectorGeneric< n >
 CPLMD::VectorGeneric< 4 >
 CPLMD::VectorGeneric< 6 >
 CVectorHighestProvides the keyword HIGHEST_VECTOR
 CVectorLessThanProvides the keyword LESS_THAN_VECTOR
 CVectorMomentsProvides the keyword MOMENTS_VECTOR
 CVectorMoreThanProvides the keyword MORE_THAN_VECTOR
 CVectorSortProvides the keyword SORT_VECTOR
 CVectorSumProvides the keyword SUM_VECTOR
 CPLMD::metatensor::vesin::VesinNeighborListThe actual neighbor list
 CPLMD::metatensor::vesin::VesinOptionsOptions for a neighbor list calculation
 CPLMD::ves::VesTools
 CPLMD::molfile::vmdplugin_tTypedef for generic plugin header, individual plugins can make their own structures as long as the header info remains the same as the generic plugin header, most easily done by using the vmdplugin_HEAD macro
 CVolumeAroundShortcutProvides the keyword AROUND
 CVolumeCavityShortcutProvides the keyword CAVITY
 CVolumeInCylinderShortcutProvides the keyword INCYLINDER
 CVolumeInEnvelopeShortcutProvides the keyword INENVELOPE
 CVolumeInSphereShortcutProvides the keyword INSPHERE
 CVolumeTetraporeShortcutProvides the keyword TETRAHEDRALPORE
 CPLMD::Stopwatch::WatchClass to store a single stopwatch
 CPLMD::ves::WaveletGrid
 CPLMD::WeightBase
 CPLMD::WithCmdBase for classes with cmd() method
 CPLMD::xdrfile::XDR
 CPLMD::xdrfile::XDR::xdr_ops
 CPLMD::xdrfile::XDRFILEContents of the abstract XDRFILE data structure