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void | Scine::Sparrow::TimeDependentUtils::generateEnergyDifferenceVector< Utils::Reference::Unrestricted > (const Utils::SingleParticleEnergies &energies, const Utils::LcaoUtils::ElectronicOccupation &occupation, Utils::SpinAdaptedContainer< Utils::Reference::Unrestricted, Eigen::VectorXd > &energyDifferenceVector) |
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void | Scine::Sparrow::TimeDependentUtils::generateEnergyDifferenceVector< Utils::Reference::Restricted > (const Utils::SingleParticleEnergies &energies, const Utils::LcaoUtils::ElectronicOccupation &occupation, Utils::SpinAdaptedContainer< Utils::Reference::Restricted, Eigen::VectorXd > &energyDifferenceVector) |
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template<> |
Utils::SpinAdaptedContainer
< Utils::Reference::Restricted,
std::vector< Utils::Excitation > > | Scine::Sparrow::TimeDependentUtils::generateExcitations< Utils::Reference::Restricted > (const Utils::MolecularOrbitals &mos, const Utils::LcaoUtils::ElectronicOccupation &occupation) |
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template<> |
Utils::SpinAdaptedContainer
< Utils::Reference::Unrestricted,
std::vector< Utils::Excitation > > | Scine::Sparrow::TimeDependentUtils::generateExcitations< Utils::Reference::Unrestricted > (const Utils::MolecularOrbitals &mos, const Utils::LcaoUtils::ElectronicOccupation &occupation) |
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auto | Scine::Sparrow::detail::occToVirLabel (int occupiedIndex, int virtualIndex) -> std::string |
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auto | Scine::Sparrow::detail::occToVirLabel (int occupiedIndex, int virtualIndex, BetaExcitation isBeta) -> std::string |
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template<> |
std::vector< std::string > | Scine::Sparrow::TimeDependentUtils::generateExcitationsLabels< Utils::Reference::Restricted > (const Utils::SpinAdaptedContainer< Utils::Reference::Restricted, std::vector< Utils::Excitation >> &excitations) |
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std::vector< std::string > | Scine::Sparrow::TimeDependentUtils::generateExcitationsLabels< Utils::Reference::Unrestricted > (const Utils::SpinAdaptedContainer< Utils::Reference::Unrestricted, std::vector< Utils::Excitation >> &excitations) |
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template<> |
std::vector< int > | Scine::Sparrow::TimeDependentUtils::generateEnergyOrderMap< Utils::Reference::Restricted > (const Utils::SpinAdaptedContainer< Utils::Reference::Restricted, Eigen::VectorXd > &energyDifferenceVector) |
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template<> |
std::vector< int > | Scine::Sparrow::TimeDependentUtils::generateEnergyOrderMap< Utils::Reference::Unrestricted > (const Utils::SpinAdaptedContainer< Utils::Reference::Unrestricted, Eigen::VectorXd > &energyDifferenceVector) |
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