Class Hierarchy

Go to the graphical class hierarchy

This inheritance list is sorted roughly, but not completely, alphabetically:

[detail level 12345]

Cvotca::xtp::ActiveDensityMatrix
Cvotca::xtp::ADIIS
Cvotca::xtp::AmplitudeIntegration< Grid >
►Cvotca::csg::AnalysisTool
Cvotca::csg::StdAnalysis
Cvotca::csg::TabulatedPotential	Tabulated Potential calculates histograms of bead interactions
Cvotca::xtp::Anderson	Anderson mixing as convergence acceleration in SCF/fixed point problems
Cvotca::xtp::AOBasis	Container to hold Basisfunctions for all atoms
Cvotca::xtp::AOGaussianPrimitive
►Cvotca::xtp::AOMatrix
Cvotca::xtp::AOCoulomb
Cvotca::xtp::AODipole
Cvotca::xtp::AOKinetic
Cvotca::xtp::AOOverlap
Cvotca::xtp::AOPotential< T >
►Cvotca::xtp::AOPotential< double >
Cvotca::xtp::AOECP
Cvotca::xtp::AOMultipole
►Cvotca::xtp::AOPotential< std::complex< double > >
Cvotca::xtp::AOPlanewave
Cvotca::xtp::AOShell
Cvotca::xtp::AOTransform
Cvotca::xtp::AOShell::AOValues
►Cvotca::tools::Application
CCG_IMC_solve	Solves linear system for IMCS
CVotcaProperty
CXtpMap
►Cvotca::csg::CsgApplication
CCGForceMatching	Implements force matching algorithm using cubic spline basis set
CCGOrderParam
CCsgBoltzmann
CCsgDensityApp
CCsgDumpApp
CCsgFluctuations
CCsgMapApp
CCsgParallelTestApp
CCsgPartialRdfApp
CCsgREupdate
CCsgRadiiApp
CCsgStatApp
CCsgTestApp
CDLPTopolApp	Class for writing dlpoly topology files
CGmxTopolApp
COrientCorrApp
CTrajForce	Adds/subtracts forces from given atomistic trajectories
►Cvotca::xtp::XtpApplication
CXtpTools
►Cvotca::xtp::StateApplication
CXtpParallel
CXtpRun
Cvotca::xtp::Atom
►Cvotca::xtp::AtomContainer< T >
Cvotca::xtp::ClassicalSegment< T >
►Cvotca::xtp::AtomContainer< Atom >
Cvotca::xtp::Segment
►Cvotca::xtp::AtomContainer< PolarSite >
Cvotca::xtp::ClassicalSegment< PolarSite >
►Cvotca::xtp::AtomContainer< QMAtom >
Cvotca::xtp::QMMolecule
Cvotca::tools::Average< T >
Cvotca::tools::Average< double >
Cvotca::xtp::AxA
►Cvotca::csg::BaseBead	Information about a base bead
Cvotca::csg::Bead	Information about a bead
Cvotca::xtp::BasisSet
Cvotca::csg::CGMoleculeDef::beaddef_t
Cvotca::csg::BeadStructure::BeadInfo	Small structure to help store bead info relevant to the structure
Cvotca::csg::BeadList
►Cvotca::csg::BeadMap
►Cvotca::csg::Map_Sphere
Cvotca::csg::Map_Ellipsoid
Cvotca::csg::BeadMotifConnector	Simple class for storing the connections between motifs and the underlying beads that are part of the connection
Cvotca::csg::BeadPair	A particle pair
►Cvotca::csg::BeadStructure	Designed to determine if the structure beads passed in
Cvotca::csg::BeadMotif	Designed determine what kind of structure a beadstructure has
Cvotca::xtp::BFGSTRM
Cvotca::tools::RangeParser::block_t
Cvotca::csg::BondBead
►Cvotca::csg::BoundaryCondition	Class keeps track of how the boundaries of the system are handled
Cvotca::csg::OpenBox
Cvotca::csg::OrthorhombicBox
Cvotca::csg::TriclinicBox
Cvotca::xtp::BSE
Cvotca::xtp::BSE_Population
Cvotca::xtp::BSEOperator_Options
►Cvotca::tools::Calculator	Base class for all calculators
►Cvotca::xtp::JobCalculator
►Cvotca::xtp::ParallelXJobCalc< std::vector< Job > >
Cvotca::xtp::EQM	Run DFT/GWBSE calculations
Cvotca::xtp::IEXCITON	Evaluates Transition Charge distributions classically
Cvotca::xtp::IQM	DFT & GWBSE-based coupling elements
Cvotca::xtp::QMMM	QM/MM with different regions around
Cvotca::xtp::ParallelXJobCalc< JobContainer >
►Cvotca::xtp::QMCalculator
Cvotca::xtp::EAnalyze
Cvotca::xtp::EInternal
Cvotca::xtp::IAnalyze
►Cvotca::xtp::KMCCalculator
Cvotca::xtp::KMCLifetime
Cvotca::xtp::KMCMultiple
Cvotca::xtp::MapChecker
Cvotca::xtp::Neighborlist
Cvotca::xtp::PairCalculator
Cvotca::xtp::VAverage
►Cvotca::xtp::QMTool
Cvotca::xtp::APDFT
Cvotca::xtp::Coupling
Cvotca::xtp::DensityAnalysis
Cvotca::xtp::DftGwBse
Cvotca::xtp::Diabatization
Cvotca::xtp::ExcitonCoupling
Cvotca::xtp::GPUBenchmark
Cvotca::xtp::GenCube
Cvotca::xtp::Log2Mps
Cvotca::xtp::Mol2Orb
Cvotca::xtp::MolPol
Cvotca::xtp::Orb2Fchk
Cvotca::xtp::Orb2Mol
Cvotca::xtp::Partialcharges
Cvotca::xtp::Spectrum
Cvotca::xtp::GridContainers::Cartesian_gridpoint
Cvotca::csg::NBListGrid::cell_t
Cvotca::csg::NBListGrid_3Body::cell_t
Cvotca::csg::CGEngine	Coarse graining engine
Cvotca::csg::CGMoleculeDef	Definition of a coarse grained molecule
►Cvotca::csg::CGObserver	Observer class for analysis hook
Cvotca::csg::BondedStatistics	Class calculates data associated with bond interactions
Cvotca::xtp::Chargecarrier
Cvotca::xtp::CheckpointFile
Cvotca::xtp::CheckpointReader
Cvotca::xtp::CheckpointWriter
►Cvotca::tools::ColorScheme
Cvotca::tools::csDefault
Cvotca::tools::csRGB
►Cvotca::tools::ColorSchemeBase
Cvotca::tools::Color< TColorScheme >
Cvotca::xtp::ConvergenceAcc
Cvotca::tools::Correlate	Class to calculate correlations of values
►Cvotca::xtp::CouplingBase	Base Class to derive DFT and BSE coupling from
Cvotca::xtp::BSECoupling	Evaluates electronic coupling elements
Cvotca::xtp::DFTcoupling	Evaluates electronic coupling elements
Cvotca::xtp::CptTable
Cvotca::xtp::OpenMP_CUDA::CPU_data
Cvotca::tools::CrossCorrelate	Class to calculate cross correlations and autocorrelations
Cvotca::csg::CsgUnits	Class keeps track csgs default units, for when unit conversions are necessarry
Cvotca::xtp::CubeFile_Writer
Cvotca::xtp::CudaMatrix
Cvotca::xtp::CudaMatrixBlock< M >
Cvotca::xtp::CudaMatrixTranspose< M >
Cvotca::xtp::CudaPipeline
Cvotca::xtp::AOGaussianPrimitive::data
Cvotca::xtp::Atom::data
Cvotca::xtp::PolarSite::data
Cvotca::xtp::PotentialIO::data
Cvotca::xtp::QMAtom::data
Cvotca::xtp::QMPair::data
Cvotca::xtp::StaticSite::data
Cvotca::tools::DataCollection< T >	This class handles a set of arrays which can be identified by name tags
Cvotca::tools::DataCollection< double >
Cvotca::xtp::DavidsonSolver	Use Davidson algorithm to solve A*V=E*V
Cvotca::xtp::OpenMP_CUDA::DefaultReference< T >
Cvotca::xtp::OpenMP_CUDA::DefaultReference< const Eigen::MatrixXd >
Cvotca::xtp::OpenMP_CUDA::DefaultReference< const Eigen::VectorXd >
Cvotca::xtp::OpenMP_CUDA::DefaultReference< Eigen::MatrixXd >
Cvotca::xtp::Density2Gyration
Cvotca::xtp::DensityIntegration< Grid >
Cvotca::xtp::DFTEngine	Electronic ground-state via Density-Functional Theory
Cvotca::xtp::DIIS
Cvotca::xtp::eeInteractor::E_terms
Cvotca::xtp::ECPAOBasis	Container to hold ECPs for all atoms
Cvotca::xtp::ECPBasisSet
Cvotca::xtp::ECPElement
Cvotca::xtp::ECPGaussianPrimitive
Cvotca::xtp::ECPShell
►Cvotca::tools::Edge	Connects to vertices
Cvotca::tools::ReducedEdge	Connects two vertices, also stores the vertices between the endpoints
Cvotca::tools::EdgeContainer	EdgeContainer is responsible for operations on groups of edges
Cvotca::xtp::eeInteractor	Mediates interaction between polar and static sites
►CEigen::EigenBase
Cvotca::xtp::DipoleDipoleInteraction
Cvotca::xtp::HamiltonianOperator< MatrixReplacementA, MatrixReplacementB >
►Cvotca::xtp::MatrixFreeOperator
Cvotca::xtp::BSE_OPERATOR< cqp, cx, cd, cd2 >
Cvotca::tools::EigenSystem
Cvotca::xtp::Element
Cvotca::csg::Map_Sphere::element_t
Cvotca::tools::Elements	Information about an element
Cvotca::xtp::Energy_terms
Cvotca::xtp::ERDiabatization
Cvotca::xtp::ERIs	Takes a density matrix and and an auxiliary basis set and calculates the electron repulsion integrals
Cvotca::xtp::Esp2multipole
Cvotca::xtp::Espfit
Cvotca::xtp::EulerMaclaurinGrid
Cvotca::csg::ExclusionList::exclusion_t
Cvotca::csg::ExclusionList
Cvotca::xtp::BSE::ExpectationValues
Cvotca::xtp::FCDDiabatization
Cvotca::xtp::SegmentMapper< AtomContainer >::FragInfo
Cvotca::xtp::FunctionEvaluation
►Cvotca::csg::NBList::Functor
Cvotca::csg::NBList::FunctorMember< T >	Functor for member functions
Cvotca::csg::NBList::FunctorNonMember	Functor for non-member functions
►Cvotca::csg::NBList_3Body::Functor
Cvotca::csg::NBList_3Body::FunctorMember< T >	Functor for member functions
Cvotca::csg::NBList_3Body::FunctorNonMember	Functor for non-member functions
Cvotca::xtp::GaussianPrimitive
►Cvotca::xtp::GaussianQuadratureBase
Cvotca::xtp::Gauss_Hermite_Quadrature
Cvotca::xtp::Gauss_Laguerre_Quadrature
►Cvotca::xtp::Gauss_Legendre_Quadrature_Base
Cvotca::xtp::Gauss_Legendre_Quadrature
Cvotca::xtp::Gauss_modified_Legendre_Quadrature
Cvotca::xtp::GaussianWriter
►Cgeneric_product_impl_base
CEigen::internal::generic_product_impl< votca::xtp::DipoleDipoleInteraction, Vtype, DenseShape, DenseShape, GemvProduct >
CEigen::internal::generic_product_impl< votca::xtp::HamiltonianOperator< MatrixReplacementA, MatrixReplacementB >, Mtype, DenseShape, DenseShape, GemmProduct >
CEigen::internal::generic_product_impl< votca::xtp::MatrixFreeOperator, Mtype, DenseShape, DenseShape, GemmProduct >
Cvotca::xtp::GLink
Cvotca::tools::globals	Class to store global variables
Cvotca::xtp::GMHDiabatization
Cvotca::xtp::GNode
►Cvotca::tools::Graph
Cvotca::tools::ReducedGraph	Contains a graph that consits of vertices with degree of 1 or greater than 3
Cvotca::tools::GraphNode	A graph node that will take a variety of different values
►Cvotca::tools::GraphVisitor
►Cvotca::tools::Graph_BF_Visitor
Cvotca::tools::GraphDistVisitor
Cvotca::tools::Graph_DF_Visitor
Cvotca::xtp::Grid
Cvotca::xtp::GridBox
Cvotca::xtp::GridboxRange
Cvotca::xtp::GridContainers
Cvotca::csg::Imc::group_t	Struct to store collected information for groups (e.g. crosscorrelations)
Cvotca::csg::RDFCalculator::group_t	Struct to store collected information for groups (e.g. crosscorrelations)
Cvotca::xtp::GW
Cvotca::xtp::GWBSE	Electronic excitations from GW-BSE
Cvotca::xtp::GWBSEEngine	Electronic Excitations via Density-Functional Theory
Cvotca::xtp::Gyrationtensor
Cstd::hash< votca::tools::Edge >
Cstd::hash< votca::tools::ReducedEdge >
Cvotca::xtp::hist< T >
Cvotca::xtp::hist< double >
Cvotca::xtp::hist< Eigen::MatrixXd >
Cvotca::xtp::hist< votca::xtp::Energy_terms >
Cvotca::tools::Histogram	Class to generate histograms
Cvotca::tools::HistogramNew	Class to generate histograms
Cvotca::xtp::huffmanTree< T >::huffmanNode< S >
Cvotca::xtp::huffmanTree< T >::huffmanNode< votca::xtp::GLink >
Cvotca::xtp::huffmanTree< T >
Cvotca::xtp::huffmanTree< votca::xtp::GLink >
Cvotca::tools::Identity< T >	Information about Identity
Cvotca::xtp::ImaginaryAxisIntegration
Cvotca::csg::Imc	Class to calculate distribution functions and cross correlations for inverse monte carlo
Cvotca::csg::IMCNBSearchHandler
Cvotca::xtp::IncrementalFockBuilder
Cvotca::xtp::IndexParser
Cvotca::xtp::checkpoint_utils::InferDataType< T >
Cvotca::xtp::checkpoint_utils::InferDataType< double >
Cvotca::xtp::checkpoint_utils::InferDataType< float >
Cvotca::xtp::checkpoint_utils::InferDataType< int >
Cvotca::xtp::checkpoint_utils::InferDataType< long int >
Cvotca::xtp::checkpoint_utils::InferDataType< std::string >
Cvotca::xtp::checkpoint_utils::InferDataType< unsigned >
Cvotca::xtp::DipoleDipoleInteraction::InnerIterator
►Cvotca::csg::Interaction	Base class for all interactions
Cvotca::csg::IAngle	Angle interaction
Cvotca::csg::IBond	Bond interaction
Cvotca::csg::IDihedral	Dihedral interaction
Cvotca::xtp::BSE::Interaction
Cvotca::csg::Imc::interaction_t	Struct to store collected information for interactions
Cvotca::csg::RDFCalculator::interaction_t	Struct to store collected information for interactions
►Cstd::ios_base	STL class
►Cstd::basic_ios< Char >	STL class
►Cstd::basic_ostream< Char >	STL class
►Cstd::ostream	STL class
Cvotca::xtp::Logger	Logger is used for thread-safe output of messages
Cvotca::tools::RangeParser::iterator
Cvotca::xtp::Job
Cvotca::xtp::Job::JobResult
Cvotca::xtp::JobTopology
Cvotca::xtp::LebedevGrid
Cvotca::Log
Cvotca::csg::Map
Cvotca::xtp::Mat_p_Energy
Cvotca::xtp::Md2QmEngine
Cvotca::xtp::EulerMaclaurinGrid::min_exp
Cvotca::xtp::QMPackage::MinimalMMCharge
Cvotca::xtp::Molden
Cvotca::csg::Molecule	Information about molecules
Cvotca::csg::MoleculeItem
Cvotca::csg::MotifDeconstructor_	This is an internal class meant to deconstruct bead motifs into their simple forms
Cvotca::tools::Mutex
Cvotca::tools::Name	Name object
Cvotca::xtp::NBO
Cvotca::tools::NDimVector< T, dim >	N-Dim Vector
Cvotca::tools::NDimVector< votca::csg::NBListGrid::cell_t, 3 >
Cvotca::csg::NematicOrder
Cvotca::xtp::NewtonRapson< Func >	Newton Rapson rootfinder for 1d functions
Cvotca::tools::ObjectFactory< key_t, T, args_t >	Template class for object factory
►Cvotca::tools::ObjectFactory< std::string, GaussianQuadratureBase >
Cvotca::xtp::QuadratureFactory
►Cvotca::tools::ObjectFactory< std::string, JobCalculator >
Cvotca::xtp::JobCalculatorfactory
►Cvotca::tools::ObjectFactory< std::string, QMCalculator >
Cvotca::xtp::Calculatorfactory
►Cvotca::tools::ObjectFactory< std::string, QMPackage >
Cvotca::xtp::QMPackageFactory
►Cvotca::tools::ObjectFactory< std::string, QMTool >
Cvotca::xtp::QMToolFactory
►Cvotca::tools::ObjectFactory< std::string, Sigma_base, TCMatrix_gwbse &, RPA & >
Cvotca::xtp::SigmaFactory
►Cvotca::tools::ObjectFactory< std::string, StateFilter_base >
Cvotca::xtp::FilterFactory
►Cvotca::tools::ObjectFactory< std::string, T >
Cvotca::csg::FileFormatFactory< T >
Cvotca::xtp::OpenMP_CUDA
►Cvotca::xtp::Optimiser_costfunction
Cvotca::xtp::ADIIS_costfunction
Cvotca::xtp::BSE::options
Cvotca::xtp::ConvergenceAcc::options
Cvotca::xtp::GW::options
Cvotca::xtp::ImaginaryAxisIntegration::options
Cvotca::xtp::Sigma_base::options
Cvotca::tools::Histogram::options_t
Cvotca::tools::OptionsHandler
Cvotca::xtp::Orbitals	Container for molecular orbitals
Cvotca::xtp::OrbReorder
Cvotca::csg::Imc::pair_t
Cvotca::csg::RDFCalculator::pair_t
Cvotca::csg::PairList< element_type, pair_type >
►Cvotca::csg::PairList< Bead *, BeadPair >
►Cvotca::csg::NBList	Neighbour list class
Cvotca::csg::NBListGrid
►Cvotca::csg::PairList< const Segment *, QMPair >
Cvotca::xtp::QMNBList
Cvotca::xtp::Rate_Engine::PairRates
Cvotca::xtp::PMLocalization
Cvotca::xtp::Populationanalysis< T >
►Cvotca::csg::PotentialFunction
Cvotca::csg::PotentialFunctionCBSPL
Cvotca::csg::PotentialFunctionLJ126
Cvotca::csg::PotentialFunctionLJG
CPotentialInfo
Cvotca::xtp::PotentialIO
Cvotca::xtp::PPM
Cvotca::xtp::ProgObserver< JobContainer >
Cvotca::xtp::ProgObserver< std::vector< votca::xtp::Job > >
Cvotca::xtp::ProgObserver< std::vector< xtp::Job > >
Cvotca::xtp::DavidsonSolver::ProjectedSpace
Cvotca::tools::Property	Class to manage program options with xml serialization functionality
Cvotca::tools::PropertyIOManipulator	Manipulates the format state of the output stream
Cvotca::xtp::QMAtom	Container for QM atoms
Cvotca::xtp::QMFragment< T >
Cvotca::xtp::QMFragment< double >
Cvotca::xtp::QMFragment< votca::xtp::BSE_Population >
►Cvotca::xtp::QMPackage
Cvotca::xtp::Orca
Cvotca::xtp::XTPDFT	Wrapper for the internal XTP DFT engine
Cvotca::xtp::QMPair
Cvotca::xtp::QMState	Identifier for QMstates. Strings like S1 are converted into enum +zero indexed int
Cvotca::xtp::QMStateCarrierStorage< T >	Storage class for properties of QMStateTypes, which can be used in KMC
Cvotca::xtp::QMStateCarrierStorage< bool >
Cvotca::xtp::QMStateCarrierStorage< double >
Cvotca::xtp::QMStateType
Cvotca::xtp::GW::QPFunc
Cvotca::xtp::GridContainers::radial_grid
Cvotca::tools::Random
Cvotca::tools::RangeParser	RangeParser
Cvotca::xtp::Rate_Engine
Cvotca::csg::RDFCalculator	Class to calculate distribution functions and cross correlations for inverse monte carlo
►Cvotca::xtp::Region
►Cvotca::xtp::MMRegion< PolarSegment >
Cvotca::xtp::PolarRegion
►Cvotca::xtp::MMRegion< StaticSegment >
Cvotca::xtp::StaticRegion
Cvotca::xtp::MMRegion< T >
Cvotca::xtp::QMRegion
Cvotca::xtp::Regular_Grid
Cvotca::csg::Residue	Class for a residue
Cvotca::xtp::DavidsonSolver::RitzEigenPair
Cvotca::xtp::RPA
Cvotca::xtp::RPA::rpa_eigensolution
Cvotca::xtp::SegId
Cvotca::xtp::SegmentMapper< AtomContainer >::Seginfo
Cvotca::xtp::SegmentMapper< AtomContainer >
Cvotca::tools::DataCollection< T >::selection	Class for array selection
Cvotca::xtp::Shell
►Cvotca::xtp::Sigma_base
Cvotca::xtp::Sigma_CDA
Cvotca::xtp::Sigma_Exact
Cvotca::xtp::Sigma_PPM
Cvotca::xtp::GridContainers::spherical_grid
►Cvotca::tools::Spline	Spline Class
Cvotca::tools::AkimaSpline	An Akima Spline Class
Cvotca::tools::CubicSpline	A cubic spline class
Cvotca::tools::LinSpline	A Linear Spline Class
CCGForceMatching::SplineInfo	Structure, which contains CubicSpline object with related parameters
►Cvotca::xtp::StateFilter_base	Base Class for statefilter
Cvotca::xtp::DeltaQ_filter	ChargeTransfer_filter tracks states according to how much charge is on a fragment A and the rest of the molecule
Cvotca::xtp::Density_filter	Density_filter tracks states according to the difference of their density matrix to an earlier state
Cvotca::xtp::Localisation_filter	Localisation_filter tracks states according to how localised they are in a specific region
Cvotca::xtp::OscillatorStrength_filter	OscillatorStrength_filter tracks states according to their f-value only works for singlets
Cvotca::xtp::Overlap_filter	Overlap_filter tracks states according to their overlap with a previous state
Cvotca::xtp::StateSaver
Cvotca::xtp::StateTracker	Tracks from a spectrum of states the state, which fullfills certain criteria
►Cvotca::xtp::StaticSite	Class to represent Atom/Site in electrostatic
Cvotca::xtp::PolarSite	Class to represent Atom/Site in electrostatic+polarization
►Cstd::stringbuf
Cvotca::xtp::LogBuffer
Cvotca::tools::StructureParameters	Provides a means to standardise the constructors of different classes
Cvotca::xtp::Symmetric_Matrix
Cvotca::tools::Table	Class to store tables like rdfs, tabulated potentials, etc
►Cvotca::xtp::TCMatrix
Cvotca::xtp::TCMatrix_dft
Cvotca::xtp::TCMatrix_gwbse
►Cvotca::tools::Thread	Framework for threaded execution
►Cvotca::csg::CsgApplication::Worker	Worker, derived from Thread, does the work
CCsgREupdateWorker
CMyWorker
CRDFWorker
Cvotca::csg::Imc::Worker
Cvotca::csg::RDFCalculator::Worker
►Cvotca::xtp::QMThread
Cvotca::xtp::ParallelXJobCalc< JobContainer >::JobOperator
Cvotca::xtp::TimeStamp	Timestamp returns the current time as a string Example: cout << TimeStamp()
Cvotca::tools::Tokenizer	Break string into words
Cvotca::csg::Topology	Topology of the whole system
Cvotca::xtp::Topology	Container for segments and box and atoms
Cvotca::csg::TopologyMap
►Cvotca::csg::TopologyReader
Cvotca::csg::DLPOLYTopologyReader	Class for reading dlpoly topology files
Cvotca::csg::GMXTopologyReader	Reader for gromacs topology files
Cvotca::csg::GROReader	Reader for gro files
Cvotca::csg::LAMMPSDataReader	Class for reading lammps data files
Cvotca::csg::LAMMPSDumpReader	Class for reading lammps dump files
Cvotca::csg::PDBReader
Cvotca::csg::XMLTopologyReader
Cvotca::csg::XYZReader	Class for reading xyz files
►CEigen::internal::traits
CEigen::internal::traits< votca::xtp::DipoleDipoleInteraction >
CEigen::internal::traits< votca::xtp::HamiltonianOperator< MatrixReplacementA, MatrixReplacementB > >
CEigen::internal::traits< votca::xtp::MatrixFreeOperator >
►Cvotca::csg::TrajectoryReader	Trajectoryreader interface
Cvotca::csg::DLPOLYTrajectoryReader	Class for reading dlpoly trajectory and configuration files
Cvotca::csg::GMXTrajectoryReader	Class for reading gromacs trajectory files
Cvotca::csg::GROReader	Reader for gro files
Cvotca::csg::H5MDTrajectoryReader	Class for reading H5MD trajectory
Cvotca::csg::LAMMPSDataReader	Class for reading lammps data files
Cvotca::csg::LAMMPSDumpReader	Class for reading lammps dump files
Cvotca::csg::PDBReader
Cvotca::csg::XYZReader	Class for reading xyz files
►Cvotca::csg::TrajectoryWriter
Cvotca::csg::DLPOLYTrajectoryWriter	Class for writing dlpoly trajectory and configuration files
Cvotca::csg::GMXTrajectoryWriter
Cvotca::csg::GROWriter
Cvotca::csg::LAMMPSDumpWriter
Cvotca::csg::PDBWriter
Cvotca::csg::XYZWriter
Cvotca::xtp::TransitionDensities	Generalized transition densities tools for different excited states
Cvotca::csg::TripleList< element_type, triple_type >
►Cvotca::csg::TripleList< Bead *, BeadTriple >
►Cvotca::csg::NBList_3Body	Neighbour list class for 3 body interactions
Cvotca::csg::NBListGrid_3Body
Cvotca::xtp::TrustRegion
Cvotca::xtp::TrustRegion::TrustRegionFunction
►Cstd::tuple
Cvotca::csg::BeadTriple	A triplet of tree Beads
Cvotca::tools::internal::type< T >
Cvotca::tools::UnitConverter	Class converts between different unit types
Cvotca::xtp::vc2index	This class transforms a pair of indices v,c into a compound index I, via I=ctotal*v+c the fast dimension is c. If you have a choice iterate over c and v not over I
►Cstd::vector< T >	STL class
Cvotca::tools::DataCollection< T >::array	The array class, extends vector by a name tag
Cvotca::xtp::Vxc_Functionals	Conversion of functional string into integer
Cvotca::xtp::Vxc_Grid
Cvotca::xtp::Vxc_Potential< Grid >
Cvotca::xtp::Vxc_Potential< Grid >::XC_entry
Cvotca::csg::XMLBead
Cvotca::csg::XMLMolecule
Cpyxtp::XTPCalculators
Cpyxtp::XTPTools