Scine::Sparrow
5.0.0
Library for fast and agile quantum chemical calculations with semiempirical methods.
|
This is the complete list of members for Scine::Sparrow::TimeDependentUtils, including all inherited members.
Direction enum name (defined in Scine::Sparrow::TimeDependentUtils) | Scine::Sparrow::TimeDependentUtils | |
flatten(const Utils::SpinAdaptedContainer< Utils::Reference::Restricted, Eigen::VectorXd > &in) -> Eigen::VectorXd | Scine::Sparrow::TimeDependentUtils | inlinestatic |
flatten(const Utils::SpinAdaptedContainer< Utils::Reference::Unrestricted, Eigen::VectorXd > &in) -> Eigen::VectorXd | Scine::Sparrow::TimeDependentUtils | inlinestatic |
flatten(Utils::SpinAdaptedContainer< Utils::Reference::Restricted, std::vector< T >> in) -> std::vector< T > | Scine::Sparrow::TimeDependentUtils | inlinestatic |
flatten(Utils::SpinAdaptedContainer< Utils::Reference::Unrestricted, std::vector< T >> in) -> std::vector< T > | Scine::Sparrow::TimeDependentUtils | inlinestatic |
generateEnergyDifferenceVector(int nOccupiedOrbitals, int nVirtualOrbitals, const Utils::SingleParticleEnergies &energies) | Scine::Sparrow::TimeDependentUtils | inlinestatic |
generateEnergyDifferenceVector(const Utils::SingleParticleEnergies &energies, const Utils::LcaoUtils::ElectronicOccupation &occupation, Utils::SpinAdaptedContainer< restrictedness, Eigen::VectorXd > &energyDifferenceVector) | Scine::Sparrow::TimeDependentUtils | static |
generateEnergyOrderMap(const Utils::SpinAdaptedContainer< restrictedness, Eigen::VectorXd > &energyDifferenceVector) | Scine::Sparrow::TimeDependentUtils | static |
generateExcitations(const std::vector< int > &occupiedOrbitalsIndices, const std::vector< int > &virtualOrbitalsIndices) | Scine::Sparrow::TimeDependentUtils | inlinestatic |
generateExcitations(const Utils::MolecularOrbitals &mos, const Utils::LcaoUtils::ElectronicOccupation &occupation) | Scine::Sparrow::TimeDependentUtils | static |
generateExcitationsLabels(const Utils::SpinAdaptedContainer< restrictedness, std::vector< Utils::Excitation >> &excitations) | Scine::Sparrow::TimeDependentUtils | static |
generateExcitationsLabels(const std::vector< Utils::Excitation > &excitations, const Eigen::Matrix< bool,-1, 1 > &isBeta={}) | Scine::Sparrow::TimeDependentUtils | inlinestatic |
generateVirtualOrbitalIndices(const std::vector< int > &occupiedOrbitalsIndices, std::vector< int > &virtualOrbitalsIndices) | Scine::Sparrow::TimeDependentUtils | inlinestatic |
transformOrder(const Eigen::MatrixBase< Derived > &toTransform, const Eigen::MatrixBase< DerivedResult > &result, const std::vector< int > &orderVector, Direction direction) | Scine::Sparrow::TimeDependentUtils | inlinestatic |
transformOrder(const std::vector< Type > &toTransform, std::vector< Type > &result, const std::vector< int > &orderVector, Direction direction) | Scine::Sparrow::TimeDependentUtils | inlinestatic |