Scine::Sparrow  5.1.0
Library for fast and agile quantum chemical calculations with semiempirical methods.
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Scine::Sparrow::TDDFTBCalculator Member List

This is the complete list of members for Scine::Sparrow::TDDFTBCalculator, including all inherited members.

applySettings() finalScine::Sparrow::TDDFTBCalculatorvirtual
calculate() finalScine::Sparrow::TDDFTBCalculatorvirtual
CalculatorWithReference()=defaultScine::Core::CalculatorWithReference
getGuess() const -> std::shared_ptr< GuessSpecifier > finalScine::Sparrow::TDDFTBCalculatorvirtual
getLog()Scine::Core::ObjectWithLog
getLog() const Scine::Core::ObjectWithLog
getReferenceCalculator() finalScine::Sparrow::TDDFTBCalculatorvirtual
getReferenceCalculator() const finalScine::Sparrow::TDDFTBCalculatorvirtual
model (defined in Scine::Sparrow::TDDFTBCalculator)Scine::Sparrow::TDDFTBCalculatorstatic
name() const finalScine::Sparrow::TDDFTBCalculatorvirtual
referenceCalculation() finalScine::Sparrow::TDDFTBCalculatorvirtual
results() finalScine::Sparrow::TDDFTBCalculatorvirtual
results() const finalScine::Sparrow::TDDFTBCalculatorvirtual
setGuess(std::shared_ptr< GuessSpecifier > guessVectorMatrix) finalScine::Sparrow::TDDFTBCalculator
Scine::Sparrow::LinearResponseCalculator::setGuess(std::shared_ptr< GuessSpecifier > guessVectorMatrix)=0Scine::Sparrow::LinearResponseCalculatorpure virtual
setLog(Log log)Scine::Core::ObjectWithLog
setReferenceCalculator(std::shared_ptr< Core::Calculator > method) finalScine::Sparrow::TDDFTBCalculator
Scine::Sparrow::LinearResponseCalculator::setReferenceCalculator(std::shared_ptr< Calculator > referenceCalculator)=0Scine::Core::CalculatorWithReferencepure virtual
settings() finalScine::Sparrow::TDDFTBCalculatorvirtual
settings() const finalScine::Sparrow::TDDFTBCalculatorvirtual
solve(Utils::SpinAdaptedContainer< restrictedness, Eigen::VectorXd > energyDifferenceVector, int numberOfEnergyLevels=0, int initialSubspaceDimension=0, Utils::SpinTransition spinBlock=Utils::SpinTransition::Singlet) (defined in Scine::Sparrow::TDDFTBCalculator)Scine::Sparrow::TDDFTBCalculator
TDDFTBCalculator() (defined in Scine::Sparrow::TDDFTBCalculator)Scine::Sparrow::TDDFTBCalculator
~CalculatorWithReference()=defaultScine::Core::CalculatorWithReferencevirtual
~LinearResponseCalculator() override=default (defined in Scine::Sparrow::LinearResponseCalculator)Scine::Sparrow::LinearResponseCalculator
~TDDFTBCalculator() final (defined in Scine::Sparrow::TDDFTBCalculator)Scine::Sparrow::TDDFTBCalculator