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• gamma() : Scine::Sparrow::dftb::SecondOrderFock
• generateEnergyDifferenceVector() : Scine::Sparrow::TimeDependentUtils
• generateEnergyOrderMap() : Scine::Sparrow::TimeDependentUtils
• generateExcitations() : Scine::Sparrow::TimeDependentUtils
• generateExcitationsLabels() : Scine::Sparrow::TimeDependentUtils
• generateUpToD() : Scine::Sparrow::nddo::multipole::KlopmanParameter
• generateUpToP() : Scine::Sparrow::nddo::multipole::KlopmanParameter
• generateUpToS() : Scine::Sparrow::nddo::multipole::KlopmanParameter
• generateVirtualOrbitalIndices() : Scine::Sparrow::TimeDependentUtils
• generateWavefunctionInformation() : Scine::Sparrow::MoldenFileGenerator
• GenericMethodWrapper() : Scine::Sparrow::GenericMethodWrapper
• get() : Scine::Sparrow::nddo::multipole::MultipoleMultipoleInteractionContainer , Scine::Sparrow::nddo::TwoCenterIntegralContainer , Scine::Sparrow::nddo::multipole::ChargeSeparationParameter , Scine::Sparrow::nddo::multipole::KlopmanParameter
• getAODipoleMatrix() : Scine::Sparrow::DFTBDipoleMatrixCalculator< DFTBMethod > , Scine::Sparrow::DipoleMatrixCalculator , Scine::Sparrow::NDDODipoleMatrixCalculator< NDDOMethod >
• getAtomicGtosMap() : Scine::Sparrow::GenericMethodWrapper
• getCalculationDescription() : Scine::Sparrow::CommandLineOptions
• getCallStatement() : Scine::Sparrow::CommandLineOptions
• getCISData() : Scine::Sparrow::NDDOMethodWrapper
• getDensityMatrixGuess() : Scine::Sparrow::GenericMethodWrapper
• getGuess() : Scine::Sparrow::TDDFTBCalculator , Scine::Sparrow::CISLinearResponseTimeDependentCalculator , Scine::Sparrow::LinearResponseCalculator
• getIntegral() : Scine::Sparrow::nddo::multipole::Local2c2eIntegralCalculator
• getLcaoMethod() : Scine::Sparrow::GenericMethodWrapper
• getLogFilename() : Scine::Sparrow::CommandLineOptions
• getLoggerVerbosity() : Scine::Sparrow::CommandLineOptions
• getMatrixBlock() : Scine::Sparrow::nddo::GTOOverlapMatrixBlock< O >
• getMODipoleMatrix() : Scine::Sparrow::DFTBDipoleMatrixCalculator< DFTBMethod > , Scine::Sparrow::DipoleMatrixCalculator , Scine::Sparrow::NDDODipoleMatrixCalculator< NDDOMethod >
• getNumberOfOrbitalSteers() : Scine::Sparrow::CommandLineOptions
• getNumberOfRootsUnderThreshold() : Scine::Sparrow::BasisPruner< restrictedness >
• getOccupiedOrbitals() : Scine::Sparrow::CISPseudoDensityBuilder< restrictedness >
• getOneCenterIntegrals() : Scine::Sparrow::nddo::TwoElectronMatrix
• getOverlap() : Scine::Sparrow::nddo::OverlapMatrix
• getPairIndex() : Scine::Sparrow::nddo::TwoElectronIntegralIndexes
• getPositions() : Scine::Sparrow::GenericMethodWrapper
• getPseudoDensityMatrix() : Scine::Sparrow::CISPseudoDensityBuilder< restrictedness >
• getRawParameters() : Scine::Sparrow::nddo::MNDOMethod , Scine::Sparrow::nddo::AM1Method , Scine::Sparrow::nddo::MNDOMethod , Scine::Sparrow::nddo::PM6Method , Scine::Sparrow::nddo::NDDOInitializer
• getReferenceCalculator() : Scine::Sparrow::CISLinearResponseTimeDependentCalculator , Scine::Sparrow::OrbitalSteeringCalculator , Scine::Sparrow::CISLinearResponseTimeDependentCalculator , Scine::Sparrow::OrbitalSteeringCalculator , Scine::Sparrow::TDDFTBCalculator
• getRepulsionEnergy() : Scine::Sparrow::nddo::PM6RepulsionEnergy , Scine::Sparrow::nddo::AM1RepulsionEnergy , Scine::Sparrow::nddo::MNDORepulsionEnergy
• getRequiredProperties() : Scine::Sparrow::GenericMethodWrapper
• getSelectedMethodName() : Scine::Sparrow::CommandLineOptions
• getSpinConstant() : Scine::Sparrow::dftb::SKAtom
• getStoNGExpansionPath() : Scine::Sparrow::GenericMethodWrapper
• getStructure() : Scine::Sparrow::GenericMethodWrapper
• getStructureCoordinatesFile() : Scine::Sparrow::CommandLineOptions
• getTwoCenterIntegrals() : Scine::Sparrow::nddo::TwoElectronMatrix
• getVirtualOrbitals() : Scine::Sparrow::CISPseudoDensityBuilder< restrictedness >
• getXData() : Scine::Sparrow::RealTimeSpectroscopy::Spectrum
• getYData() : Scine::Sparrow::RealTimeSpectroscopy::Spectrum
• Global2c2eMatrix() : Scine::Sparrow::nddo::multipole::Global2c2eMatrix
• gradientRequired() : Scine::Sparrow::CommandLineOptions
• GTODipoleMatrixBlock() : Scine::Sparrow::GTODipoleMatrixBlock
• GTOOverlapMatrixBlock() : Scine::Sparrow::nddo::GTOOverlapMatrixBlock< O >