mpqc::python::scf Namespace Reference

Typedefs
using	RHF = mpqc::lcao::RHF< TA::TensorD, TAPolicy >

Functions
std::shared_ptr< RHF >	make_rhf_keyval (const KeyVal &kv)
std::shared_ptr< RHF >	make_rhf_args (std::shared_ptr< Molecule > atoms, std::string basis)
template<class Property >
std::shared_ptr< Property >	evaluate (RHF &rhf, std::shared_ptr< Property > p)
void	__init__ (py::module m)

Typedef Documentation

RHF

using mpqc::python::scf::RHF = typedef mpqc::lcao::RHF<TA::TensorD, TAPolicy>

Function Documentation

__init__()

void mpqc::python::scf::__init__ ( py::module  m )

inline

evaluate()

template<class Property >

std::shared_ptr<Property> mpqc::python::scf::evaluate	(	RHF &	rhf,
		std::shared_ptr< Property >	p
	)

make_rhf_args()

std::shared_ptr<RHF> mpqc::python::scf::make_rhf_args ( std::shared_ptr< Molecule >  atoms, std::string  basis  )

inline

make_rhf_keyval()

std::shared_ptr<RHF> mpqc::python::scf::make_rhf_keyval ( const KeyVal &  kv )

inline