Scine::Sparrow  5.0.0
Library for fast and agile quantum chemical calculations with semiempirical methods.
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Scine::Sparrow::TimeDependentUtils Member List

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::VectorXdScine::Sparrow::TimeDependentUtilsinlinestatic
flatten(const Utils::SpinAdaptedContainer< Utils::Reference::Unrestricted, Eigen::VectorXd > &in) -> Eigen::VectorXdScine::Sparrow::TimeDependentUtilsinlinestatic
flatten(Utils::SpinAdaptedContainer< Utils::Reference::Restricted, std::vector< T >> in) -> std::vector< T >Scine::Sparrow::TimeDependentUtilsinlinestatic
flatten(Utils::SpinAdaptedContainer< Utils::Reference::Unrestricted, std::vector< T >> in) -> std::vector< T >Scine::Sparrow::TimeDependentUtilsinlinestatic
generateEnergyDifferenceVector(int nOccupiedOrbitals, int nVirtualOrbitals, const Utils::SingleParticleEnergies &energies)Scine::Sparrow::TimeDependentUtilsinlinestatic
generateEnergyDifferenceVector(const Utils::SingleParticleEnergies &energies, const Utils::LcaoUtils::ElectronicOccupation &occupation, Utils::SpinAdaptedContainer< restrictedness, Eigen::VectorXd > &energyDifferenceVector)Scine::Sparrow::TimeDependentUtilsstatic
generateEnergyOrderMap(const Utils::SpinAdaptedContainer< restrictedness, Eigen::VectorXd > &energyDifferenceVector)Scine::Sparrow::TimeDependentUtilsstatic
generateExcitations(const std::vector< int > &occupiedOrbitalsIndices, const std::vector< int > &virtualOrbitalsIndices)Scine::Sparrow::TimeDependentUtilsinlinestatic
generateExcitations(const Utils::MolecularOrbitals &mos, const Utils::LcaoUtils::ElectronicOccupation &occupation)Scine::Sparrow::TimeDependentUtilsstatic
generateExcitationsLabels(const Utils::SpinAdaptedContainer< restrictedness, std::vector< Utils::Excitation >> &excitations)Scine::Sparrow::TimeDependentUtilsstatic
generateExcitationsLabels(const std::vector< Utils::Excitation > &excitations, const Eigen::Matrix< bool,-1, 1 > &isBeta={})Scine::Sparrow::TimeDependentUtilsinlinestatic
generateVirtualOrbitalIndices(const std::vector< int > &occupiedOrbitalsIndices, std::vector< int > &virtualOrbitalsIndices)Scine::Sparrow::TimeDependentUtilsinlinestatic
transformOrder(const Eigen::MatrixBase< Derived > &toTransform, const Eigen::MatrixBase< DerivedResult > &result, const std::vector< int > &orderVector, Direction direction)Scine::Sparrow::TimeDependentUtilsinlinestatic
transformOrder(const std::vector< Type > &toTransform, std::vector< Type > &result, const std::vector< int > &orderVector, Direction direction)Scine::Sparrow::TimeDependentUtilsinlinestatic