Class Hierarchy

Go to the graphical class hierarchy

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

[detail level 12]

Cnlohmann::adl_serializer< occ::core::Dimer >
Cnlohmann::adl_serializer< occ::crystal::Crystal >
Cnlohmann::adl_serializer< occ::crystal::SpaceGroup >
Cnlohmann::adl_serializer< occ::crystal::SymmetryOperation >
Cocc::io::AdpData
Cocc::qm::AOBasis
Cocc::driver::AssignedEnergy
Cocc::sht::AssocLegendreP
Cocc::crystal::AsymmetricUnit	A class representing an asymmetric unit of a crystal structure
Cocc::core::Atom	Class representing and holding data for an Atom in 3D space
Cocc::io::AtomData
Cocc::dft::AtomGrid
Cocc::qm::cint::impl::AtomInfo
Cocc::descriptors::PromoleculeDensityShape::AtomInterpolator
Cocc::isosurface::AtomInterpolator
Cocc::main::pfimpl::AtomInterpolator
Cocc::slater::AtomInterpolator
Cocc::isosurface::AxisAlignedBoundingBox
Cocc::slater::Basis
Cocc::qm::cint::impl::BasisInfo
Cocc::io::BasisSetInput
Cocc::isosurface::BatchFunctor< F >
Cocc::io::BeckeGridSettings
Cocc::io::ColumnConfiguration::Border
Cocc::io::RowConfiguration::Border
Cocc::core::opt::Bracket1D< Function >
Ctinyply::Buffer
Cocc::interaction::CEEnergyComponents
Cocc::io::CellData
Cocc::interaction::CEModelInteraction
Cocc::interaction::CEMonomerCalculationParameters
Cocc::interaction::CEParameterizedModel
Cocc::main::CGConfig
Cocc::io::CifParser
Cocc::io::ColumnConfiguration
Cocc::core::Combinations	Class to generate all possible combinations of a integers
Cocc::core::ConditioningOrthogonalizerResult
Cocc::solvent::ContinuumSolvationModel
Cocc::cg::ContributionPair
Cquickhull::ConvexHull< T >
Cocc::solvent::COSMO
Cocc::crystal::Crystal	A class representing a crystal structure
Cocc::crystal::CrystalAtomRegion	A class representing a region of atoms in a crystal lattice
Cocc::crystal::CrystalDimers	A class representing the molecular dimers in a crystal lattice
►Cocc::driver::CrystalGrowthCalculator
Cocc::driver::CEModelCrystalGrowthCalculator
Cocc::driver::XTBCrystalGrowthCalculator
Cocc::driver::CrystalGrowthCalculatorOptions
Cocc::cg::CrystalGrowthResult
Cocc::io::CrystalInput
Cocc::main::CrystalSurfaceEnergies
Cocc::crystal::CrystalSurfaceGenerationParameters	Parameters for crystal surface generation
Cocc::io::Cube
Cocc::main::CubeConfig
Cocc::disp::D4Dispersion
Cocc::isosurface::DeformationDensityFunctor
Cocc::main::DeformationDensityFunctor
Cocc::dft::DensityFunctional
Cocc::main::DescribeConfig
Cocc::io::DftbGenFormat
Cocc::dft::DFTMethod
Cquickhull::DiagnosticsData
►Cocc::core::diis::DIIS
Cocc::qm::CDIIS
Cocc::core::Dimer	Storage class for relevant information of a dimer (pair) of Molecule objects
Cocc::main::DimerGenerationSettings
Cocc::crystal::DimerIndex	Represents a pair of sites in a crystal structure
Cocc::crystal::DimerIndexHash
Cocc::crystal::DimerMappingEdge
Cocc::crystal::DimerMappingTable	Maps and manages symmetry relationships between dimers in a crystal
Cocc::crystal::DimerMappingVertex
Cocc::cg::DimerResult
Cocc::cg::DimerSolventTerm
Cocc::io::DispersionCorrectionInput
Cocc::io::DriverInput
Cocc::io::ECPShell
Cocc::geometry::mc::impl::Edge
Cocc::geometry::mc::impl::EdgeHash
Cocc::qm::EDIIS
Cocc::main::EEQEspFunctor
Cocc::main::ElasticSettings
Cocc::core::ElasticTensor	Class for computation of properties based on an elasticity tensor
Cocc::isosurface::ElectricPotentialFunctor
Cocc::isosurface::ElectricPotentialFunctorPC
Cocc::isosurface::ElectronDensityFunctor
Cocc::main::ElectronDensityFunctor
Cocc::io::ElectronInput
Cocc::io::ElectronShell
Cocc::core::Element	Utility class representing and holding data for a chemical element
Cocc::io::ElementBasis
Cocc::qm::Energy
►Cocc::interaction::EnergyModelBase
Cocc::interaction::CEEnergyModel
Cocc::interaction::XTBEnergyModel
Cocc::cg::EnergyTotal
Cocc::io::EngradReader
Cocc::main::EspFunctor
Cocc::isosurface::ExpFunc
Cquickhull::HalfEdgeMesh< FloatType, IndexType >::Face
Cquickhull::MeshBuilder< T >::Face
Cocc::geometry::Facet
Cocc::io::GMFWriter::Facet
Cocc::main::FacetEnergies
►Cstd::false_type
Cocc::core::numpy::impl::is_complex< T >
Cocc::geometry::mc::impl::has_batch_evaluate< T, typename >
Cocc::io::FchkReader::FchkBasis
Cocc::io::FchkReader
Cocc::io::impl::FchkScalarWriter
Cocc::io::impl::FchkVectorWriter
Cocc::io::FchkWriter
Cocc::core::Fraction	Class representing and holding data a rational number i.e
Cocc::dft::FuncComponent
Cocc::io::GaussianInputFile
Cocc::isosurface::GenericStockholderWeightFunctor< Func >
Cocc::core::GenSqrtInvResult
Cocc::io::GeometryInput
Cocc::io::GMFWriter
Cocc::qm::GradientEvaluator< Proc >
Cocc::core::graph::Graph< VertexType, EdgeType >
Cocc::core::graph::Graph< SiteMappingVertex, SiteMappingEdge >
Cocc::gto::GTOValues
Cquickhull::HalfEdgeMesh< FloatType, IndexType >::HalfEdge
Cquickhull::MeshBuilder< T >::HalfEdge
Cquickhull::HalfEdgeMesh< FloatType, IndexType >
Cocc::dft::HirshfeldPartition	Class implementing Hirshfeld atomic charge analysis
Cocc::crystal::HKL	A struct representing a lattice vector triplet (h, k, l) in a crystal lattice
Cocc::geometry::IcosphereMesh
Cocc::geometry::IndexCache
Cocc::io::kmcpp::InputWriter
Cocc::qm::IntegralEngine
Cocc::qm::IntegralEngineDF
Cocc::qm::cint::IntegralEnvironment
Cocc::qm::IntegralEngine::IntegralResult< num_centers >
Cocc::cg::InteractionMapper
Cocc::core::Interpolator1D< T, mapping >	Class for interpolating one-dimensional functions
Cocc::core::Interpolator1D< float, occ::core::DomainMapping::Linear >
Cocc::descriptors::PromoleculeDensityShape::InterpolatorParameters
Cocc::isosurface::InterpolatorParams
Cocc::main::pfimpl::InterpolatorParams
Cocc::slater::InterpolatorParams
Cocc::isosurface::Isosurface
Cocc::isosurface::IsosurfaceCalculator
Cocc::main::IsosurfaceConfig
Cocc::isosurface::IsosurfaceGenerationParameters
Cocc::io::IsosurfaceInput
Cocc::isosurface::IsosurfaceProperties
Cocc::qm::JKPair
Cocc::qm::JKTriple
Cocc::io::JsonBasis
Cocc::io::JsonBasisReader
Cocc::io::JsonWavefunctionReader
Cocc::io::JsonWavefunctionWriter
Cocc::core::KalmanEstimator
Cocc::interaction::LatticeConvergenceSettings
Cocc::interaction::LatticeEnergyCalculator
Cocc::interaction::LatticeEnergyResult
Cocc::geometry::IndexCache::Layer
Cocc::geometry::mc::LinearHashedMarchingCubes
Cocc::geometry::LinearHashedOctree< N >
Cocc::core::opt::LineSearch< Function >
Cocc::isosurface::LogSumExpFunctor< Metric >
►Cankerl::unordered_dense::map
Cocc::core::EnergyComponents	Storage class for components of energy, separated by the dot character
Cocc::geometry::mc::MarchingCubes
Cocc::MatTriple
Cocc::isosurface::MCDeformationDensityFunctor
Cocc::isosurface::MCElectricPotentialFunctor
Cocc::isosurface::MCElectronDensityFunctor
Cocc::isosurface::MCPromoleculeDensityFunctor
Cquickhull::MeshBuilder< T >
Cquickhull::MeshBuilder< FloatType >
Cocc::dft::MethodDefinition
Cocc::io::MethodInput
Cocc::geometry::MIndex
Cocc::geometry::MIndexHash
Cocc::io::MoldenReader
Cocc::dft::MolecularGrid
Cocc::dft::MolecularGridPoints
Cocc::qm::MolecularOrbitals
Cocc::core::MolecularPointGroup	Storage class for a point group describing a Molecule
Cocc::core::Molecule	Storage class for relevant information of a Molecule
Cocc::cg::MoleculeResult
Cocc::gto::Momenta
Cocc::gto::MomentaSpherical
Cocc::interaction::PairEnergy::Monomer
Cocc::core::Multipole< L >	Templated storage class for Multipole expansions
Cocc::cg::NeighborAtoms
Cocc::cg::NeighborContribution
►Cnested_formatter
Cfmt::formatter< occ::crystal::DimerIndex >
Cfmt::formatter< occ::crystal::HKL >
Cfmt::formatter< occ::qm::Shell >
Cocc::io::crystalgrower::NetWriter
Cocc::dft::NonLocalCorrelationFunctional
Cocc::core::numpy::NumpyArray
Cocc::io::OccInput
Cocc::main::OccPairInput
Cocc::qm::Oniom< HighLevel, LowLevel >
Cocc::qm::cint::Optimizer
Cocc::isosurface::OrbitalIndex
Cocc::qm::OrbitalSmearing
Cocc::io::OrcaJSONReader
Cocc::io::OutputInput
Cocc::interaction::PairEnergy
Cocc::interaction::PairEnergyStore
►Cocc::interaction::PairEnergyStoreBase
Cocc::interaction::FileSystemPairEnergyStore
Cocc::interaction::MemoryPairEnergyStore
Cocc::io::PairInput
Cocc::dft::NonLocalCorrelationFunctional::Parameters
Cocc::xdm::XDM::Parameters
Cocc::dft::DensityFunctional::Params
Cocc::core::graph::PeriodicEdge	Class representing and holding data for a graph edge in 3D periodic boundary conditions
Cocc::core::graph::PeriodicVertex	Class representing and holding data for a graph vertex in 3D periodic boundary conditions
Cquickhull::Plane< T >
Ctinyply::PlyData
Ctinyply::PlyElement
Ctinyply::PlyFile
Ctinyply::PlyProperty
Cocc::core::PointCharge
Cocc::io::PointChargeFileReader
Cquickhull::Pool< T >
Cquickhull::Pool< std::vector< size_t > >
Cocc::geometry::MIndex::Position
Cocc::core::ProgressTracker
Cocc::main::PromolDensityFunctor
Cocc::slater::PromoleculeDensity
Cocc::descriptors::PromoleculeDensityShape
Ctinyply::PropertyInfo
Cocc::io::QCSchemaBond
Cocc::io::QCSchemaInput
Cocc::io::QCSchemaModel
Cocc::io::QCSchemaReader
Cocc::io::QCSchemaTopology
Cquickhull::QuickHull< FloatType >
Cocc::dft::RadialGrid
Cocc::isosurface::RadiusMetric
Cocc::dft::RangeSeparatedParameters
Cquickhull::Ray< T >
Cocc::crystal::ReciprocalAsymmetricUnit
Cocc::io::ReferenceData
Cocc::cg::SMDCalculator::Result
Cocc::dft::DensityFunctional::Result
Cocc::dft::NonLocalCorrelationFunctional::Result
Cocc::solvent::COSMO::Result
Cocc::isosurface::RInvFunc
Cocc::geometry::IndexCache::Row
Cocc::io::RowConfiguration
Cocc::io::RuntimeInput
Cocc::qm::SCF< Procedure >
Cocc::qm::SCFContext
Cocc::qm::SCFConvergenceSettings
►Cocc::qm::SCFMethodBase
Cocc::dft::DFT
Cocc::qm::HartreeFock
Cocc::dft::cosx::SemiNumericalExchange
Cocc::qm::Shell
Cocc::slater::Shell
Cocc::sht::SHT
Cocc::crystal::SiteIndex
Cocc::crystal::SiteIndexHash
Cocc::crystal::SiteMappingEdge
Cocc::crystal::SiteMappingTable
Cocc::crystal::SiteMappingVertex
Cocc::cg::SMDCalculator
Cocc::cg::SMDSettings
Cocc::solvent::SMDSolventParameters
Cocc::cg::SMDSolventSurfaces
Cocc::cg::SolvationContribution
Cocc::solvent::SolvationCorrectedProcedure< Proc >
Cocc::io::SolventInput
Cocc::cg::SolventSurface
Cocc::cg::SolventSurfacePartitioner
Cocc::crystal::SpaceGroup	This class represents a space group
Cocc::sht::SphericalHarmonics
Cocc::descriptors::Steinhardt
Cocc::slater::StockholderWeight
Cocc::isosurface::StockholderWeightFunctor
Cocc::timing::StopWatch< count >
Cocc::io::crystalgrower::StructureWriter
Cocc::crystal::Surface	Represents and analyzes a crystal surface defined by Miller indices
Cocc::solvent::surface::Surface
Cocc::isosurface::SurfaceCurvature
Cocc::crystal::SurfaceCutResult	Results from analyzing a crystal surface cut
Cocc::main::SurfaceCutsConfig
Cocc::io::SymmetryData
Cocc::crystal::SymmetryDimerLabeller
Cocc::crystal::SymmetryOperation	Class representing a 3D symmetry operation
Cocc::crystal::SymmetryOperationFormat
Cocc::crystal::CrystalDimers::SymmetryRelatedDimer
Cocc::core::SymOp	Structure/utility class for a point group symmetry operation
Cocc::io::Table
Cocc::xtb::TbliteCalculator
Cocc::core::TerminalSize
Cocc::interaction::transform::TransformResult
►Cstd::true_type
Cocc::core::numpy::impl::is_complex< std::complex< T > >
Cocc::geometry::mc::impl::has_batch_evaluate< T, std::void_t< decltype(std::declval< T >().batch(std::declval< Eigen::Ref< const FMat3N > >(), std::declval< Eigen::Ref< FVec > >()))> >
Cocc::crystal::UnitCell	This class represents a unit cell of a crystal lattice
►CCLI::Validator
Cocc::main::MultiplicityValidator
Cocc::main::SpinorbitalKindValidator
Cocc::isosurface::VoidSurfaceFunctor
Cocc::geometry::VolumeGrid
Cocc::isosurface::VolumeGridFunctor
Cocc::qm::Wavefunction
Cocc::interaction::transform::WavefunctionTransformer
Cocc::interaction::WolfParameters
Cocc::interaction::WolfSum
Cocc::geometry::WulffConstruction
Cocc::main::XCDensityFunctor
Cocc::xdm::XDM
Cocc::xdm::XDMAtomList
Cocc::xtb::XTBCalculator
Cocc::io::XyzFileReader