Here is a list of all functions with links to the classes they belong to:
- e -
- ec_entropy() : occ::qm::OrbitalSmearing
- ecp_at() : occ::qm::AOBasis
- ecp_electrons() : occ::qm::AOBasis
- ecp_l_max() : occ::qm::AOBasis
- ecp_nsh() : occ::qm::AOBasis
- ecp_shell_to_atom() : occ::qm::AOBasis
- ecp_shells() : occ::qm::AOBasis
- ecp_size() : occ::qm::AOBasis
- edge() : occ::core::graph::Graph< VertexType, EdgeType >
- Edge() : occ::geometry::mc::impl::Edge
- edges() : occ::core::graph::Graph< VertexType, EdgeType >
- EDIIS() : occ::qm::EDIIS
- EEQEspFunctor() : occ::main::EEQEspFunctor
- effective_core_potential() : occ::qm::IntegralEngine
- ElasticTensor() : occ::core::ElasticTensor
- electric_field() : occ::qm::Wavefunction
- electric_field_for_molecule() : occ::interaction::WolfSum
- electric_potential() : occ::qm::IntegralEngine, occ::qm::Wavefunction
- ElectricPotentialFunctor() : occ::isosurface::ElectricPotentialFunctor
- ElectricPotentialFunctorPC() : occ::isosurface::ElectricPotentialFunctorPC
- electron_density() : occ::qm::Wavefunction
- electron_density_gradient() : occ::qm::Wavefunction
- electron_density_mo() : occ::qm::Wavefunction
- electron_density_mo_gradient() : occ::qm::Wavefunction
- ElectronDensityFunctor() : occ::isosurface::ElectronDensityFunctor, occ::main::ElectronDensityFunctor
- electronic() : occ::qm::GradientEvaluator< Proc >
- electronic_electric_field_contribution() : occ::dft::DFT, occ::qm::HartreeFock
- electronic_electric_potential_contribution() : occ::dft::DFT, occ::qm::HartreeFock
- Element() : occ::core::Element
- element_basis() : occ::io::JsonBasisReader
- element_map() : occ::io::JsonBasisReader
- elements() : occ::core::Molecule
- energy() : occ::disp::D4Dispersion, occ::io::EngradReader, occ::xdm::XDM
- energy_and_commutator_converged() : occ::qm::SCFConvergenceSettings
- energy_and_gradient() : occ::disp::D4Dispersion
- energy_component() : occ::cg::DimerResult, occ::cg::MoleculeResult
- energy_converged() : occ::qm::SCFConvergenceSettings
- energy_weighted_density_matrix() : occ::qm::MolecularOrbitals
- engine() : occ::dft::cosx::SemiNumericalExchange
- EngradReader() : occ::io::EngradReader
- env() : occ::qm::IntegralEngine
- env_atom_offset() : occ::qm::cint::impl::BasisInfo
- env_contraction_offset() : occ::qm::cint::impl::BasisInfo
- env_coord_offset() : occ::qm::cint::impl::AtomInfo
- env_data_ptr() : occ::qm::cint::IntegralEnvironment
- env_primitive_offset() : occ::qm::cint::impl::BasisInfo
- equivalent() : occ::core::Dimer
- equivalent_in_opposite_frame() : occ::core::Dimer
- error() : occ::core::diis::DIIS, occ::qm::EDIIS
- error_message() : occ::isosurface::IsosurfaceCalculator
- esp_partial_charges() : occ::core::Molecule
- EspFunctor() : occ::main::EspFunctor
- estimate_remaining() : occ::core::KalmanEstimator
- evaluate() : occ::dft::DensityFunctional, occ::sht::SphericalHarmonics
- evaluate_batch() : occ::sht::AssocLegendreP
- evaluate_molecular_surroundings() : occ::driver::CEModelCrystalGrowthCalculator, occ::driver::CrystalGrowthCalculator, occ::driver::XTBCrystalGrowthCalculator
- exact_exchange_factor() : occ::dft::DensityFunctional, occ::dft::DFT
- exchange() : occ::qm::IntegralEngineDF
- exchange_correlation_energy() : occ::dft::DFT
- exchange_energy_total() : occ::dft::DFT
- exchange_factor() : occ::dft::DFTMethod
- exchange_kjmol() : occ::interaction::CEEnergyComponents
- exchange_repulsion_kjmol() : occ::interaction::CEEnergyComponents
- exchange_with() : occ::cg::ContributionPair, occ::cg::SolvationContribution
- expectation_value() : occ::qm::MolecularOrbitals
- extract() : occ::geometry::mc::LinearHashedMarchingCubes, occ::geometry::mc::MarchingCubes
- extract_with_curvature() : occ::geometry::mc::MarchingCubes
- extract_with_normals() : occ::geometry::mc::LinearHashedMarchingCubes, occ::geometry::mc::MarchingCubes
- extrapolate() : occ::core::diis::DIIS