sisi4s
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sisi4s::CcsdEnergyFromCoulombIntegralsReference Member List

This is the complete list of members for sisi4s::CcsdEnergyFromCoulombIntegralsReference, including all inherited members.

Algorithm(std::vector< Argument > const &argumentList)sisi4s::Algorithm
allocateContainerArgument(std::string const &argumentName, C *container)sisi4s::Algorithm
allocatedTensorArgument(std::string const &argumentName, T *tensor)sisi4s::Algorithm
argumentssisi4s::Algorithm
calculateExcitationEnergies(Tensor< F > &D, const std::string &indices)sisi4s::ClusterSinglesDoublesAlgorithmprotected
CcsdEnergyFromCoulombIntegralsReference(std::vector< Argument > const &argumentList)sisi4s::CcsdEnergyFromCoulombIntegralsReference
checkArgumentsOrDie(const std::vector< std::string > args) constsisi4s::Algorithminline
ClusterSinglesDoublesAlgorithm(std::vector< Argument > const &argumentList)sisi4s::ClusterSinglesDoublesAlgorithm
createAmplitudes(std::vector< std::string > amplitudeNames, std::vector< std::vector< TensorIndex > > amplitudeLens, std::vector< std::string > amplitudeIndices)sisi4s::ClusterSinglesDoublesAlgorithmprotected
DEFAULT_AMPLITUDES_CONVERGENCEsisi4s::ClusterSinglesDoublesAlgorithmstatic
DEFAULT_DISTINGUISHABLEsisi4s::CcsdEnergyFromCoulombIntegralsReferencestatic
DEFAULT_ENERGY_CONVERGENCEsisi4s::ClusterSinglesDoublesAlgorithmstatic
DEFAULT_LEVEL_SHIFTsisi4s::ClusterSinglesDoublesAlgorithmstatic
DEFAULT_MAX_ITERATIONSsisi4s::ClusterSinglesDoublesAlgorithmstatic
DEFAULT_SLICE_SIZEsisi4s::CcsdEnergyFromCoulombIntegralsReferencestatic
dryAmplitudesFromResiduum(sisi4s::DryTensor< F > &R)sisi4s::ClusterSinglesDoublesAlgorithmprotected
dryRun()sisi4s::Algorithmvirtual
estimateAmplitudesFromResiduum(const std::shared_ptr< FockVector< F > > &residuum, const std::shared_ptr< const FockVector< F > > &amplitudes)sisi4s::ClusterSinglesDoublesAlgorithmprotected
falliblesisi4s::Algorithm
getAbbreviation()sisi4s::CcsdEnergyFromCoulombIntegralsReferenceinlinevirtual
getArgumentData(std::string const &argumentName)sisi4s::Algorithm
getBooleanArgument(std::string const &name)sisi4s::Algorithm
getBooleanArgument(std::string const &name, bool const &defaultValue)sisi4s::Algorithm
getCapitalizedAbbreviation()sisi4s::ClusterSinglesDoublesAlgorithmprotected
getContainerArgument(std::string const &argumentName)sisi4s::Algorithm
getDataName(const std::string &type, const std::string &data)sisi4s::ClusterSinglesDoublesAlgorithmprotected
getEnergy(const std::shared_ptr< const FockVector< F > > &amplitdues)sisi4s::ClusterSinglesDoublesAlgorithmprotected
getGivenArgumentNames() constsisi4s::Algorithminline
getIntegerArgument(std::string const &argumentName)sisi4s::Algorithm
getIntegerArgument(std::string const &argumentName, int64_t const defaultValue)sisi4s::Algorithm
getName()sisi4s::CcsdEnergyFromCoulombIntegralsReferenceinlinevirtual
getRealArgument(std::string const &argumentName)sisi4s::Algorithm
getRealArgument(std::string const &argumentName, real const defaultValue)sisi4s::Algorithm
getRealArgumentFromInteger(IntegerData *data)sisi4s::Algorithm
getRealArgumentFromTensor(TensorData< real > *data)sisi4s::Algorithm
getResiduum(const int iteration, const std::shared_ptr< const FockVector< double > > &amplitudes)sisi4s::CcsdEnergyFromCoulombIntegralsReferenceprotectedvirtual
getResiduum(const int iteration, const std::shared_ptr< const FockVector< complex > > &amplitudes)sisi4s::CcsdEnergyFromCoulombIntegralsReferenceprotectedvirtual
getTensorArgument(std::string const &argumentName)sisi4s::Algorithm
getTensorArgumentFromReal(RealData *realData)sisi4s::Algorithm
getTextArgument(std::string const &argumentName)sisi4s::Algorithm
getTextArgument(std::string const &argumentName, std::string const &defaultValue)sisi4s::Algorithm
isArgumentGiven(std::string const &argumentName)sisi4s::Algorithm
notesisi4s::Algorithm
registrar_sisi4s::CcsdEnergyFromCoulombIntegralsReferencestatic
run()sisi4s::ClusterSinglesDoublesAlgorithmvirtual
run()sisi4s::ClusterSinglesDoublesAlgorithmprotectedvirtual
setIntegerArgument(std::string const &argumentName, int const value)sisi4s::Algorithm
setRealArgument(std::string const &argumentName, real const value)sisi4s::Algorithm
sliceAmplitudesFromCoupledCoulombFactors(const std::shared_ptr< const FockVector< double > > &amplitudes, int a, int b, int factorsSliceSize)sisi4s::ClusterSinglesDoublesAlgorithmprotected
sliceAmplitudesFromCoupledCoulombFactors(const std::shared_ptr< const FockVector< complex > > &amplitudes, int a, int b, int factorsSliceSize)sisi4s::ClusterSinglesDoublesAlgorithmprotected
sliceCoupledCoulombIntegrals(const std::shared_ptr< const FockVector< double > > &amplitudes, int a, int b, int integralsSliceSize)sisi4s::ClusterSinglesDoublesAlgorithmprotected
sliceCoupledCoulombIntegrals(const std::shared_ptr< const FockVector< complex > > &amplitudes, int a, int b, int integralsSliceSize)sisi4s::ClusterSinglesDoublesAlgorithmprotected
sliceIntoResiduum(Tensor< F > &Rxyij, int a0, int b0, Tensor< F > &Rabij)sisi4s::ClusterSinglesDoublesAlgorithmprotected
storeAmplitudes(const std::shared_ptr< const FockVector< F > > &amplitudes, std::vector< std::string > names)sisi4s::ClusterSinglesDoublesAlgorithmprotected
~Algorithm()sisi4s::Algorithmvirtual
~CcsdEnergyFromCoulombIntegralsReference()sisi4s::CcsdEnergyFromCoulombIntegralsReferencevirtual
~ClusterSinglesDoublesAlgorithm()sisi4s::ClusterSinglesDoublesAlgorithmvirtual