Scine::Sparrow  5.1.0
Library for fast and agile quantum chemical calculations with semiempirical methods.
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Scine::Sparrow::CISSigmaVectorEvaluator< restrictedness > Member List

This is the complete list of members for Scine::Sparrow::CISSigmaVectorEvaluator< restrictedness >, including all inherited members.

CISSigmaVectorEvaluator(CISData cisData, const ExcitedStatesParam &excitedStatesParam, const Utils::SpinAdaptedContainer< restrictedness, Eigen::VectorXd > &energyDifferenceVector, const std::vector< std::multimap< double, int, std::greater< double >>> &integralsThresholds, std::vector< int > orderMap, Utils::SpinTransition spinBlock=Utils::SpinTransition::Singlet)Scine::Sparrow::CISSigmaVectorEvaluator< restrictedness >explicit
evaluate(const Eigen::MatrixXd &guessVectors) const finalScine::Sparrow::CISSigmaVectorEvaluator< restrictedness >
evaluate(const Eigen::MatrixXd &guessVectors) const (defined in Scine::Sparrow::CISSigmaVectorEvaluator< restrictedness >)Scine::Sparrow::CISSigmaVectorEvaluator< restrictedness >inline
evaluate(const Eigen::MatrixXd &guessVectors) const (defined in Scine::Sparrow::CISSigmaVectorEvaluator< restrictedness >)Scine::Sparrow::CISSigmaVectorEvaluator< restrictedness >inline
~CISSigmaVectorEvaluator() finalScine::Sparrow::CISSigmaVectorEvaluator< restrictedness >