Scine::Sparrow  5.1.0
Library for fast and agile quantum chemical calculations with semiempirical methods.
 All Classes Namespaces Files Functions Variables Typedefs Enumerations Enumerator Pages
Scine::Sparrow::TDDFTBEigenvalueSolver< restrictedness > Member List

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

setGuess(std::shared_ptr< LinearResponseCalculator::GuessSpecifier > guess) (defined in Scine::Sparrow::TDDFTBEigenvalueSolver< restrictedness >)Scine::Sparrow::TDDFTBEigenvalueSolver< restrictedness >inline
solve(int numberOfEnergyLevels, int initialSubspaceDimension, Utils::SpinTransition spinBlock=Utils::SpinTransition::Singlet) -> Utils::ElectronicTransitionResultScine::Sparrow::TDDFTBEigenvalueSolver< restrictedness >
solveDftb0(int numberOfRoots) const -> Utils::ElectronicTransitionResult (defined in Scine::Sparrow::TDDFTBEigenvalueSolver< restrictedness >)Scine::Sparrow::TDDFTBEigenvalueSolver< restrictedness >
TDDFTBEigenvalueSolver(const Utils::Settings &settings, std::shared_ptr< Eigen::MatrixXd > gammaMatrix, std::shared_ptr< Eigen::VectorXd > spinConstants, const OrderedInput< restrictedness > &orderedInput, std::shared_ptr< Utils::DipoleMatrix > dipoleMatrixMO, Core::Log &log) (defined in Scine::Sparrow::TDDFTBEigenvalueSolver< restrictedness >)Scine::Sparrow::TDDFTBEigenvalueSolver< restrictedness >inline