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Scine::Sparrow
4.0.0
Library for fast and agile quantum chemical calculations with semiempirical methods.
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This is the complete list of members for Scine::Sparrow::BasisPruner< restrictedness >, including all inherited members.
| BasisPruner(const OrderedInput< restrictedness > &input, std::shared_ptr< Eigen::MatrixXd > gammaMatrix, std::shared_ptr< Eigen::VectorXd > spinConstants) (defined in Scine::Sparrow::BasisPruner< restrictedness >) | Scine::Sparrow::BasisPruner< restrictedness > | |
| BoolVector typedef (defined in Scine::Sparrow::BasisPruner< restrictedness >) | Scine::Sparrow::BasisPruner< restrictedness > | |
| getNumberOfRootsUnderThreshold() const -> int | Scine::Sparrow::BasisPruner< restrictedness > | inline |
| prune(EnergyThreshold enThresh, PerturbativeThreshold ptThresh, Utils::SpinTransition spinBlock=Utils::SpinTransition::Singlet) -> OrderedInput< restrictedness > | Scine::Sparrow::BasisPruner< restrictedness > | |
| prune(NumberOfConfigurations nRoots, PerturbativeThreshold ptThresh, Utils::SpinTransition spinBlock=Utils::SpinTransition::Singlet) -> OrderedInput< restrictedness > | Scine::Sparrow::BasisPruner< restrictedness > | |
| prune(const LinearResponseCalculator::GuessSpecifier &matrixToPrune) const -> std::shared_ptr< LinearResponseCalculator::GuessSpecifier > | Scine::Sparrow::BasisPruner< restrictedness > | |
| prune(const LinearResponseCalculator::GuessSpecifier &matrixToPrune) const -> std::shared_ptr< LinearResponseCalculator::GuessSpecifier > (defined in Scine::Sparrow::BasisPruner< restrictedness >) | Scine::Sparrow::BasisPruner< restrictedness > | |
| prune(const LinearResponseCalculator::GuessSpecifier &matrixToPrune) const -> std::shared_ptr< LinearResponseCalculator::GuessSpecifier > (defined in Scine::Sparrow::BasisPruner< restrictedness >) | Scine::Sparrow::BasisPruner< restrictedness > |