Sparrow API

• Class list
  • Class MNDOCalculatorSettings
  • Class Scine::Sparrow::AM1MethodWrapper
  • Class Scine::Sparrow::AM1Settings
  • Class Scine::Sparrow::AM1TypeMethodWrapper
  • Class Scine::Sparrow::AM1TypeSettings
  • Class Scine::Sparrow::AnalyticalDipoleIntegralOverGTOsCalculator
  • Class Scine::Sparrow::AtomPairDipole
  • Class Scine::Sparrow::DFTB0MethodWrapper
  • Class Scine::Sparrow::DFTB0Settings
  • Class Scine::Sparrow::DFTB2MethodWrapper
  • Class Scine::Sparrow::DFTB2Settings
  • Class Scine::Sparrow::DFTB3MethodWrapper
  • Class Scine::Sparrow::DFTB3Settings
  • Class Scine::Sparrow::DFTBDipoleMatrixCalculator
  • Class Scine::Sparrow::DFTBDipoleMomentCalculator
  • Class Scine::Sparrow::DFTBMethodWrapper
  • Class Scine::Sparrow::DipoleMatrixCalculator
  • Class Scine::Sparrow::DipoleMatrixTypeNotAvailableException
  • Class Scine::Sparrow::DipoleMomentCalculator
  • Class Scine::Sparrow::GTODipoleMatrixBlock
  • Class Scine::Sparrow::GenericMethodWrapper
  • Class Scine::Sparrow::IncompatibleStateException
  • Class Scine::Sparrow::MNDOMethodWrapper
  • Class Scine::Sparrow::MNDOSettings
  • Class Scine::Sparrow::MoldenFileGenerator
  • Class Scine::Sparrow::NDDODipoleMatrixCalculator
  • Class Scine::Sparrow::NDDODipoleMomentCalculator
  • Class Scine::Sparrow::NDDOMethodWrapper
  • Class Scine::Sparrow::PM3MethodWrapper
  • Class Scine::Sparrow::PM3Settings
  • Class Scine::Sparrow::PM6MethodWrapper
  • Class Scine::Sparrow::PM6Settings
  • Class Scine::Sparrow::RM1MethodWrapper
  • Class Scine::Sparrow::RM1Settings
  • Class Scine::Sparrow::SparrowModule
  • Class Scine::Sparrow::dftb::DFTB0
  • Class Scine::Sparrow::dftb::DFTB2
  • Class Scine::Sparrow::dftb::DFTB3
  • Class Scine::Sparrow::dftb::DFTBCommon
  • Class Scine::Sparrow::dftb::DensityGuess
  • Class Scine::Sparrow::dftb::Overlap
  • Class Scine::Sparrow::dftb::PairwiseRepulsion
  • Class Scine::Sparrow::dftb::Repulsion
  • Class Scine::Sparrow::dftb::SDFTB
  • Class Scine::Sparrow::dftb::SKAtom
  • Class Scine::Sparrow::dftb::SKPair
  • Class Scine::Sparrow::dftb::ScfFock
  • Class Scine::Sparrow::dftb::SecondOrderFock
  • Class Scine::Sparrow::dftb::ThirdOrderFock
  • Class Scine::Sparrow::dftb::ZeroOrderFock
  • Class Scine::Sparrow::dftb::ZeroOrderMatricesCalculator
  • Class Scine::Sparrow::nddo::AM1Method
  • Class Scine::Sparrow::nddo::AM1PairwiseRepulsion
  • Class Scine::Sparrow::nddo::AM1RepulsionEnergy
  • Class Scine::Sparrow::nddo::AtomPairOverlap
  • Class Scine::Sparrow::nddo::AtomicParameters
  • Class Scine::Sparrow::nddo::DiatomicParameters
  • Class Scine::Sparrow::nddo::ElementPairParameters
  • Class Scine::Sparrow::nddo::ElementParameters
  • Class Scine::Sparrow::nddo::FockMatrix
  • Class Scine::Sparrow::nddo::GTOOverlapMatrixBlock
  • Class Scine::Sparrow::nddo::GeneralTypes::InvalidMultipoleException
  • Class Scine::Sparrow::nddo::GeneralTypes::InvalidOrbitalPairException
  • Class Scine::Sparrow::nddo::GeneralTypes::InvalidQuantumNumbersException
  • Class Scine::Sparrow::nddo::MNDOMethod
  • Class Scine::Sparrow::nddo::MNDOPairwiseRepulsion
  • Class Scine::Sparrow::nddo::MNDORepulsionEnergy
  • Class Scine::Sparrow::nddo::NDDODensityGuess
  • Class Scine::Sparrow::nddo::NDDOElectronicEnergyCalculator
  • Class Scine::Sparrow::nddo::NDDOInitializer
  • Class Scine::Sparrow::nddo::NoElementSetException
  • Class Scine::Sparrow::nddo::NoExponentsSetException
  • Class Scine::Sparrow::nddo::OneCenterIntegralContainer
  • Class Scine::Sparrow::nddo::OneCenterSlaterIntegral
  • Class Scine::Sparrow::nddo::OneCenterTwoElectronCalculator
  • Class Scine::Sparrow::nddo::OneCenterTwoElectronIntegralExpression
  • Class Scine::Sparrow::nddo::OneCenterTwoElectronIntegrals
  • Class Scine::Sparrow::nddo::OneElectronMatrix
  • Class Scine::Sparrow::nddo::OrbitalRotation
  • Class Scine::Sparrow::nddo::OverlapMatrix
  • Class Scine::Sparrow::nddo::PM6DiatomicParameters
  • Class Scine::Sparrow::nddo::PM6Method
  • Class Scine::Sparrow::nddo::PM6PairwiseRepulsion
  • Class Scine::Sparrow::nddo::PM6RepulsionEnergy
  • Class Scine::Sparrow::nddo::RawAtomicParameters
  • Class Scine::Sparrow::nddo::RawDiatomicParameters
  • Class Scine::Sparrow::nddo::RawParameterProcessor
  • Class Scine::Sparrow::nddo::RawParametersContainer
  • Class Scine::Sparrow::nddo::SlaterCondonParameters
  • Class Scine::Sparrow::nddo::TwoCenterIntegralContainer
  • Class Scine::Sparrow::nddo::TwoElectronIntegralIndexes
  • Class Scine::Sparrow::nddo::TwoElectronMatrix
  • Class Scine::Sparrow::nddo::multipole::ChargeSeparationParameter
  • Class Scine::Sparrow::nddo::multipole::ChargesInMultipoles
  • Class Scine::Sparrow::nddo::multipole::Global2c2eMatrix
  • Class Scine::Sparrow::nddo::multipole::Global2c2eTerms
  • Class Scine::Sparrow::nddo::multipole::KlopmanParameter
  • Class Scine::Sparrow::nddo::multipole::Local2c2eIntegralCalculator
  • Class Scine::Sparrow::nddo::multipole::Local2c2eMatrix
  • Class Scine::Sparrow::nddo::multipole::MMTermCreator
  • Class Scine::Sparrow::nddo::multipole::MultipoleCharge
  • Class Scine::Sparrow::nddo::multipole::MultipoleChargePair
  • Class Scine::Sparrow::nddo::multipole::MultipoleMultipoleInteraction
  • Class Scine::Sparrow::nddo::multipole::MultipoleMultipoleInteractionContainer
  • Class Scine::Sparrow::nddo::multipole::MultipoleMultipoleTerm
  • Class Scine::Sparrow::nddo::multipole::VuvB
  • Class Scine::Sparrow::nddo::multipole::ZeroLocal2c2eIntegrals
• Struct list
  • Struct Scine::Sparrow::SparrowState
  • Struct Scine::Sparrow::dftb::InterpolationValues
  • Struct Scine::Sparrow::dftb::RepulsionParameters
  • Struct Scine::Sparrow::nddo::AngularMomentum
  • Struct Scine::Sparrow::nddo::gaussianRepulsionParameter
  • Struct Scine::Sparrow::nddo::multipole::Local2c2eIntegralCalculator::LocalTerm
  • Struct Scine::Sparrow::nddo::multipole::RotationTerm
• File list
  • File AM1Method.h
  • File AM1PairwiseRepulsion.h
  • File AM1RepulsionEnergy.h
  • File AM1Settings.h
  • File AM1TypeMethodWrapper.h
  • File AnalyticalDipoleIntegralOverGTOsCalculator.h
  • File AtomPairDipole.h
  • File AtomPairOverlap.h
  • File AtomicParameters.h
  • File ChargeSeparationParameter.h
  • File ChargesInMultipoles.h
  • File DFTB0.h
  • File DFTB0MethodWrapper.h
  • File DFTB0Settings.h
  • File DFTB2.h
  • File DFTB2MethodWrapper.h
  • File DFTB2Settings.h
  • File DFTB3.h
  • File DFTB3MethodWrapper.h
  • File DFTB3Settings.h
  • File DFTBCommon.h
  • File DFTBDipoleMatrixCalculator.h
  • File DFTBDipoleMomentCalculator.h
  • File DFTBMethodWrapper.h
  • File DensityGuess.h
  • File DiatomicParameters.h
  • File DipoleMatrixCalculator.h
  • File DipoleMomentCalculator.h
  • File ElementPairParameters.h
  • File ElementParameters.h
  • File FockMatrix.h
  • File GTODipoleMatrixBlock.h
  • File GTOOverlapMatrixBlock.h
  • File GeneralTypes.h
  • File GenericMethodWrapper.h
  • File Global2c2eMatrix.h
  • File Global2c2eTerms.h
  • File KlopmanParameter.h
  • File Local2c2eIntegralCalculator.h
  • File Local2c2eMatrix.h
  • File MMTermCreator.h
  • File MNDOMethod.h
  • File MNDOMethodWrapper.h
  • File MNDOPairwiseRepulsion.h
  • File MNDORepulsionEnergy.h
  • File MNDOSettings.h
  • File MoldenFileGenerator.h
  • File MultipoleCharge.h
  • File MultipoleChargePair.h
  • File MultipoleMultipoleInteraction.h
  • File MultipoleMultipoleInteractionContainer.h
  • File MultipoleMultipoleTerm.h
  • File NDDODensityGuess.h
  • File NDDODipoleMatrixCalculator.h
  • File NDDODipoleMomentCalculator.h
  • File NDDOElectronicEnergyCalculator.h
  • File NDDOInitializer.h
  • File NDDOMethodWrapper.h
  • File OneCenterTwoElectronCalculator.h
  • File OneCenterTwoElectronIntegralExpression.h
  • File OneElectronMatrix.h
  • File OrbitalRotation.h
  • File Overlap.h
  • File OverlapMatrix.h
  • File PM6DiatomicParameters.h
  • File PM6Method.h
  • File PM6MethodWrapper.h
  • File PM6PairwiseRepulsion.h
  • File PM6RepulsionEnergy.h
  • File PM6Settings.h
  • File PairwiseRepulsion.h
  • File PrincipalQuantumNumbers.h
  • File RawParameterProcessor.h
  • File RawParameters.h
  • File RawParametersContainer.h
  • File Repulsion.h
  • File RepulsionParameters.h
  • File SDFTB.h
  • File SKAtom.h
  • File SKPair.h
  • File ScfFock.h
  • File SecondOrderFock.h
  • File SlaterCondonParameters.h
  • File SparrowModule.h
  • File SparrowState.h
  • File ThirdOrderFock.h
  • File TwoCenterIntegralContainer.h
  • File TwoElectronIntegralIndexes.h
  • File TwoElectronMatrix.h
  • File VuvB.h
  • File ZeroOrderFock.h
  • File ZeroOrderMatricesCalculator.h
  • File multipoleTypes.h
  • File oneCenterIntegralContainer.h
  • File oneCenterSlaterIntegral.h
  • File oneCenterTwoElectronIntegrals.h
  • File zeroLocal2c2eIntegrals.h
• Namespace list
  • Namespace Scine
  • Namespace Scine::@15
  • Namespace Scine::Sparrow
  • Namespace Scine::Sparrow::dftb
  • Namespace Scine::Sparrow::nddo
  • Namespace Scine::Sparrow::nddo::GeneralTypes
  • Namespace Scine::Sparrow::nddo::PM6Elements
  • Namespace Scine::Sparrow::nddo::multipole
  • Namespace Scine::Utils