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 | |
BasisSetExtrapolation(std::vector< Argument > const &argumentList) | sisi4s::BasisSetExtrapolation | |
calculateNewSF(int type, real gamma, Tensor< double > *coulombKernel, Tensor< double > *newSF, Tensor< double > *resNewSF) | sisi4s::BasisSetExtrapolation | protected |
checkArgumentsOrDie(const std::vector< std::string > args) const | sisi4s::Algorithm | inline |
dryRun() | sisi4s::Algorithm | virtual |
evaluateQGG(int orbitalPairStart, int orbtialPairEnd, int slice) | sisi4s::BasisSetExtrapolation | protected |
fallible | sisi4s::Algorithm | |
fitF12(int type, real minG, real maxG) | sisi4s::BasisSetExtrapolation | protected |
getArgumentData(std::string const &argumentName) | sisi4s::Algorithm | |
getBooleanArgument(std::string const &name) | sisi4s::Algorithm | |
getBooleanArgument(std::string const &name, bool const &defaultValue) | sisi4s::Algorithm | |
getContainerArgument(std::string const &argumentName) | sisi4s::Algorithm | |
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::BasisSetExtrapolation | 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 | |
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 | |
invertQGG() | sisi4s::BasisSetExtrapolation | protected |
isArgumentGiven(std::string const &argumentName) | sisi4s::Algorithm | |
note | sisi4s::Algorithm | |
registrar_ | sisi4s::BasisSetExtrapolation | static |
run() | sisi4s::BasisSetExtrapolation | virtual |
setIntegerArgument(std::string const &argumentName, int const value) | sisi4s::Algorithm | |
setRealArgument(std::string const &argumentName, real const value) | sisi4s::Algorithm | |
~Algorithm() | sisi4s::Algorithm | virtual |
~BasisSetExtrapolation() | sisi4s::BasisSetExtrapolation | virtual |