molpro::linalg::itsolv::subspace::xspace Namespace Reference

Classes
struct	NewData
	New sections of equation data. More...

Functions
template<class R , class Q , class P >
auto	update_qspace_data (const CVecRef< R > &params, const CVecRef< R > &actions, const CVecRef< P > &pparams, const CVecRef< Q > &qparams, const CVecRef< Q > &qactions, const CVecRef< Q > &dparams, const CVecRef< Q > &dactions, const CVecRef< Q > &rhs, const Dimensions &dims, ArrayHandlers< R, Q, P > &handlers, Logger &logger, bool hermitian=false, bool action_dot_action=false)
	Returns new sections of equation data.
template<class Q , class P >
auto	update_dspace_overlap_data (const CVecRef< P > &pparams, const CVecRef< Q > &qparams, const CVecRef< Q > &dparams, const CVecRef< Q > &rhs, array::ArrayHandler< Q, P > &handler_qp, array::ArrayHandler< Q, Q > &handler_qq, Logger &logger)
	Calculates overlap blocks between D space and the rest of the subspace.
template<class Q , class P >
auto	update_dspace_action_data (const CVecRef< P > &pparams, const CVecRef< Q > &qparams, const CVecRef< Q > &qactions, const CVecRef< Q > &dparams, const CVecRef< Q > &dactions, array::ArrayHandler< Q, P > &handler_qp, array::ArrayHandler< Q, Q > &handler_qq, Logger &logger)
	Calculates overlap blocks between D space and the rest of the subspace.
template<typename T >
void	copy_dspace_eqn_data (const NewData< T > &new_data, SubspaceData< T > &data, const subspace::EqnData e, const Dimensions &dims)

Function Documentation

copy_dspace_eqn_data()

template<typename T >

void molpro::linalg::itsolv::subspace::xspace::copy_dspace_eqn_data	(	const NewData< T > &	new_data,
		SubspaceData< T > &	data,
		const subspace::EqnData	e,
		const Dimensions &	dims
	)

update_dspace_action_data()

template<class Q , class P >

auto molpro::linalg::itsolv::subspace::xspace::update_dspace_action_data	(	const CVecRef< P > &	pparams,
		const CVecRef< Q > &	qparams,
		const CVecRef< Q > &	qactions,
		const CVecRef< Q > &	dparams,
		const CVecRef< Q > &	dactions,
		array::ArrayHandler< Q, P > &	handler_qp,
		array::ArrayHandler< Q, Q > &	handler_qq,
		Logger &	logger
	)

Calculates overlap blocks between D space and the rest of the subspace.

update_dspace_overlap_data()

template<class Q , class P >

auto molpro::linalg::itsolv::subspace::xspace::update_dspace_overlap_data	(	const CVecRef< P > &	pparams,
		const CVecRef< Q > &	qparams,
		const CVecRef< Q > &	dparams,
		const CVecRef< Q > &	rhs,
		array::ArrayHandler< Q, P > &	handler_qp,
		array::ArrayHandler< Q, Q > &	handler_qq,
		Logger &	logger
	)

Calculates overlap blocks between D space and the rest of the subspace.

update_qspace_data()

template<class R , class Q , class P >

auto molpro::linalg::itsolv::subspace::xspace::update_qspace_data	(	const CVecRef< R > &	params,
		const CVecRef< R > &	actions,
		const CVecRef< P > &	pparams,
		const CVecRef< Q > &	qparams,
		const CVecRef< Q > &	qactions,
		const CVecRef< Q > &	dparams,
		const CVecRef< Q > &	dactions,
		const CVecRef< Q > &	rhs,
		const Dimensions &	dims,
		ArrayHandlers< R, Q, P > &	handlers,
		Logger &	logger,
		bool	hermitian = false,
		bool	action_dot_action = false
	)

Returns new sections of equation data.