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 | |
arguments | sisi4s::Algorithm | |
calculateExcitationEnergies(Tensor< F > &D, const std::string &indices) | sisi4s::ClusterSinglesDoublesAlgorithm | protected |
CcsdEnergyFromCoulombIntegralsReference(std::vector< Argument > const &argumentList) | sisi4s::CcsdEnergyFromCoulombIntegralsReference | |
checkArgumentsOrDie(const std::vector< std::string > args) const | sisi4s::Algorithm | inline |
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::ClusterSinglesDoublesAlgorithm | protected |
DEFAULT_AMPLITUDES_CONVERGENCE | sisi4s::ClusterSinglesDoublesAlgorithm | static |
DEFAULT_DISTINGUISHABLE | sisi4s::CcsdEnergyFromCoulombIntegralsReference | static |
DEFAULT_ENERGY_CONVERGENCE | sisi4s::ClusterSinglesDoublesAlgorithm | static |
DEFAULT_LEVEL_SHIFT | sisi4s::ClusterSinglesDoublesAlgorithm | static |
DEFAULT_MAX_ITERATIONS | sisi4s::ClusterSinglesDoublesAlgorithm | static |
DEFAULT_SLICE_SIZE | sisi4s::CcsdEnergyFromCoulombIntegralsReference | static |
dryAmplitudesFromResiduum(sisi4s::DryTensor< F > &R) | sisi4s::ClusterSinglesDoublesAlgorithm | protected |
dryRun() | sisi4s::Algorithm | virtual |
estimateAmplitudesFromResiduum(const std::shared_ptr< FockVector< F > > &residuum, const std::shared_ptr< const FockVector< F > > &litudes) | sisi4s::ClusterSinglesDoublesAlgorithm | protected |
fallible | sisi4s::Algorithm | |
getAbbreviation() | sisi4s::CcsdEnergyFromCoulombIntegralsReference | inlinevirtual |
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::ClusterSinglesDoublesAlgorithm | protected |
getContainerArgument(std::string const &argumentName) | sisi4s::Algorithm | |
getDataName(const std::string &type, const std::string &data) | sisi4s::ClusterSinglesDoublesAlgorithm | protected |
getEnergy(const std::shared_ptr< const FockVector< F > > &litdues) | sisi4s::ClusterSinglesDoublesAlgorithm | protected |
getGivenArgumentNames() const | sisi4s::Algorithm | inline |
getIntegerArgument(std::string const &argumentName) | sisi4s::Algorithm | |
getIntegerArgument(std::string const &argumentName, int64_t const defaultValue) | sisi4s::Algorithm | |
getName() | sisi4s::CcsdEnergyFromCoulombIntegralsReference | inlinevirtual |
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 > > &litudes) | sisi4s::CcsdEnergyFromCoulombIntegralsReference | protectedvirtual |
getResiduum(const int iteration, const std::shared_ptr< const FockVector< complex > > &litudes) | sisi4s::CcsdEnergyFromCoulombIntegralsReference | protectedvirtual |
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 | |
note | sisi4s::Algorithm | |
registrar_ | sisi4s::CcsdEnergyFromCoulombIntegralsReference | static |
run() | sisi4s::ClusterSinglesDoublesAlgorithm | virtual |
run() | sisi4s::ClusterSinglesDoublesAlgorithm | protectedvirtual |
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 > > &litudes, int a, int b, int factorsSliceSize) | sisi4s::ClusterSinglesDoublesAlgorithm | protected |
sliceAmplitudesFromCoupledCoulombFactors(const std::shared_ptr< const FockVector< complex > > &litudes, int a, int b, int factorsSliceSize) | sisi4s::ClusterSinglesDoublesAlgorithm | protected |
sliceCoupledCoulombIntegrals(const std::shared_ptr< const FockVector< double > > &litudes, int a, int b, int integralsSliceSize) | sisi4s::ClusterSinglesDoublesAlgorithm | protected |
sliceCoupledCoulombIntegrals(const std::shared_ptr< const FockVector< complex > > &litudes, int a, int b, int integralsSliceSize) | sisi4s::ClusterSinglesDoublesAlgorithm | protected |
sliceIntoResiduum(Tensor< F > &Rxyij, int a0, int b0, Tensor< F > &Rabij) | sisi4s::ClusterSinglesDoublesAlgorithm | protected |
storeAmplitudes(const std::shared_ptr< const FockVector< F > > &litudes, std::vector< std::string > names) | sisi4s::ClusterSinglesDoublesAlgorithm | protected |
~Algorithm() | sisi4s::Algorithm | virtual |
~CcsdEnergyFromCoulombIntegralsReference() | sisi4s::CcsdEnergyFromCoulombIntegralsReference | virtual |
~ClusterSinglesDoublesAlgorithm() | sisi4s::ClusterSinglesDoublesAlgorithm | virtual |