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

Namespaces
namespace	qspace
namespace	util
namespace	xspace

Classes
struct	Dimensions
	Stores partitioning of XSpace into P, Q and R blocks with sizes and offsets for each one. More...
class	DSpace
	D space stores complement of P+Q+R subspace that is necessary to reproduce the previous solutions. More...
struct	ISubspaceSolver
	Manages solution of the subspace problem and storage of those solutions. More...
class	IXSpace
	Full subspace. More...
class	Matrix
	Matrix container that allows simple data access, slicing, copying and resizing without loosing data. More...
class	PSpace
struct	QSpace
	Container storing the Q space parameters. More...
class	SubspaceSolverLinEig
	Solves subspace problem for linear eigenvalues and system of linear equations. More...
class	SubspaceSolverOptBFGS
	Solves subspace problem for minimisation using the Steepest Descent algorithm. More...
class	SubspaceSolverOptSD
	Solves subspace problem for minimisation using the Steepest Descent algorithm. More...
class	SubspaceSolverRSPT
class	XSpace

Typedefs
using	SubspaceData = std::map< EqnData, Matrix< double > >

Enumerations
enum class	EqnData {   H ,   S ,   rhs ,   value }

Functions
template<class ML , class MR >
void	transpose_copy (ML &&ml, const MR &mr)
template<class Mat >
std::string	as_string (const Mat &m, int precision=6)
template<EqnData... DataTypes>
auto	null_data ()

Typedef Documentation

SubspaceData

using molpro::linalg::itsolv::subspace::SubspaceData = typedef std::map<EqnData, Matrix<double> >

Enumeration Type Documentation

EqnData

enum class molpro::linalg::itsolv::subspace::EqnData

strong

Enumerator
H
S
rhs
value

Function Documentation

as_string()

template<class Mat >

std::string molpro::linalg::itsolv::subspace::as_string	(	const Mat &	m,
		int	precision = 6
	)

null_data()

template<EqnData... DataTypes>

auto molpro::linalg::itsolv::subspace::null_data

(

)

transpose_copy()

template<class ML , class MR >

void molpro::linalg::itsolv::subspace::transpose_copy	(	ML &&	ml,
		const MR &	mr
	)