Here is a list of all documented class members with links to the class documentation for each member:
- g -
- g2sd
: Scine::Sparrow::nddo::Parameters::Atomic::Pack
- gamma()
: Scine::Sparrow::dftb::SecondOrderFock
- gammaMatrix
: Scine::Sparrow::TDDFTBData
- gaussianRepulsion
: Scine::Sparrow::nddo::Parameters::Atomic
- 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::CISLinearResponseTimeDependentCalculator
, Scine::Sparrow::LinearResponseCalculator
, Scine::Sparrow::TDDFTBCalculator
- 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::PM6Method
, 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::AM1RepulsionEnergy
, Scine::Sparrow::nddo::MNDORepulsionEnergy
, Scine::Sparrow::nddo::PM6RepulsionEnergy
- 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
- gp2
: Scine::Sparrow::nddo::Parameters::Atomic::Pack
- gpp
: Scine::Sparrow::nddo::Parameters::Atomic::Pack
- gradientRequired()
: Scine::Sparrow::CommandLineOptions
- gsp
: Scine::Sparrow::nddo::Parameters::Atomic::Pack
- gss
: Scine::Sparrow::nddo::Parameters::Atomic::Pack
- GTODipoleMatrixBlock()
: Scine::Sparrow::GTODipoleMatrixBlock
- GTOOverlapMatrixBlock()
: Scine::Sparrow::nddo::GTOOverlapMatrixBlock< O >