#include <XSpace.h>

Inheritance diagram for molpro::linalg::itsolv::subspace::XSpace< R, Q, P >:

Collaboration diagram for molpro::linalg::itsolv::subspace::XSpace< R, Q, P >:

[legend]

Public Member Functions
	XSpace (const std::shared_ptr< ArrayHandlers< R, Q, P > > &handlers, const std::shared_ptr< Logger > &logger)

void	update_qspace (const CVecRef< R > &params, const CVecRef< R > &actions) override
	Update parameters in Q space and corresponding equation data.

void	update_dspace (VecRef< Q > &params, VecRef< Q > &actions) override
	Clears old D space container and stores new params and actions.

void	update_pspace (const CVecRef< P > &params, const array::Span< value_type > &pp_action_matrix) override

void	add_rhs_equations (const CVecRef< R > &rhs)
	For a system of linear equations Ax=b, adds rhs vectors b.

CVecRef< Q >	rhs () const
	Access RHS vectors in linear equations.

const std::vector< value_type_abs > &	rhs_norm () const
	Norm of RHS vectors.

const Dimensions &	dimensions () const override

void	erase (size_t i) override
	Removes parameter i from the full subspace.

void	eraseq (size_t i) override
	Removes parameter i from Q subspace.

void	erasep (size_t i) override
	Removes parameter i from P subspace.

void	erased (size_t i) override
	Removes parameter i from D subspace.

VecRef< P >	paramsp () override

VecRef< Q >	paramsq () override

VecRef< Q >	actionsq () override

VecRef< Q >	paramsd () override

VecRef< Q >	actionsd () override

CVecRef< P >	paramsp () const override

CVecRef< Q >	paramsq () const override

CVecRef< Q >	actionsq () const override

CVecRef< Q >	paramsd () const override

CVecRef< Q >	actionsd () const override

CVecRef< P >	cparamsp () const override

CVecRef< Q >	cparamsq () const override

CVecRef< Q >	cactionsq () const override

CVecRef< Q >	cparamsd () const override

CVecRef< Q >	cactionsd () const override

void	set_logger (std::shared_ptr< Logger > logger) override

void	set_hermiticity (bool hermitian)
	Set Hermiticity of the subspace. P space can only be used with Hermitian problems.

bool	get_hermiticity ()

void	set_action_action ()

Public Member Functions inherited from molpro::linalg::itsolv::subspace::IXSpace< R, Q, P >
	IXSpace ()=default

virtual	~IXSpace ()=default

size_t	size () const
	Number of vectors forming the subspace.

Public Attributes
PSpace< R, P >	pspace

QSpace< R, Q, P >	qspace

DSpace< Q >	dspace

Public Attributes inherited from molpro::linalg::itsolv::subspace::IXSpace< R, Q, P >
SubspaceData< value_type >	data
	Equation data in the subspace.

Protected Member Functions
void	update_dimensions ()

auto	update_rhs_with_pspace ()
	Update projection of RHS data onto P space.

void	remove_data (size_t i)

Protected Attributes
std::shared_ptr< ArrayHandlers< R, Q, P > >	m_handlers

std::shared_ptr< Logger >	m_logger

Dimensions	m_dim

std::vector< Q >	m_rhs
	Right hand side vectors.

std::vector< value_type_abs >	m_rhs_norm
	norm of RHS vectors

bool	m_hermitian = false
	whether the matrix is Hermitian

bool	m_action_dot_action = false
	whether the H matrix is action.action instead of action.parameter

Additional Inherited Members
Public Types inherited from molpro::linalg::itsolv::subspace::IXSpace< R, Q, P >
using	R = R

using	Q = Q

using	P = P

using	value_type = typename array::ArrayHandler< R, R >::value_type

using	value_type_abs = typename array::ArrayHandler< R, R >::value_type_abs

Constructor & Destructor Documentation

◆ XSpace()

template<class R , class Q , class P >

molpro::linalg::itsolv::subspace::XSpace< R, Q, P >::XSpace	(	const std::shared_ptr< ArrayHandlers< R, Q, P > > &	handlers,
		const std::shared_ptr< Logger > &	logger
	)

inlineexplicit

Member Function Documentation

◆ actionsd() [1/2]

template<class R , class Q , class P >

CVecRef< Q > molpro::linalg::itsolv::subspace::XSpace< R, Q, P >::actionsd ( ) const

inlineoverridevirtual

Implements molpro::linalg::itsolv::subspace::IXSpace< R, Q, P >.

◆ actionsd() [2/2]

template<class R , class Q , class P >

VecRef< Q > molpro::linalg::itsolv::subspace::XSpace< R, Q, P >::actionsd ( )

inlineoverridevirtual

Implements molpro::linalg::itsolv::subspace::IXSpace< R, Q, P >.

◆ actionsq() [1/2]

template<class R , class Q , class P >

CVecRef< Q > molpro::linalg::itsolv::subspace::XSpace< R, Q, P >::actionsq ( ) const

inlineoverridevirtual

Implements molpro::linalg::itsolv::subspace::IXSpace< R, Q, P >.

◆ actionsq() [2/2]

template<class R , class Q , class P >

VecRef< Q > molpro::linalg::itsolv::subspace::XSpace< R, Q, P >::actionsq ( )

inlineoverridevirtual

Implements molpro::linalg::itsolv::subspace::IXSpace< R, Q, P >.

◆ add_rhs_equations()

template<class R , class Q , class P >

void molpro::linalg::itsolv::subspace::XSpace< R, Q, P >::add_rhs_equations ( const CVecRef< R > & rhs )

inline

For a system of linear equations Ax=b, adds rhs vectors b.

◆ cactionsd()

template<class R , class Q , class P >

CVecRef< Q > molpro::linalg::itsolv::subspace::XSpace< R, Q, P >::cactionsd ( ) const

inlineoverridevirtual

Implements molpro::linalg::itsolv::subspace::IXSpace< R, Q, P >.

◆ cactionsq()

template<class R , class Q , class P >

CVecRef< Q > molpro::linalg::itsolv::subspace::XSpace< R, Q, P >::cactionsq ( ) const

inlineoverridevirtual

Implements molpro::linalg::itsolv::subspace::IXSpace< R, Q, P >.

◆ cparamsd()

template<class R , class Q , class P >

CVecRef< Q > molpro::linalg::itsolv::subspace::XSpace< R, Q, P >::cparamsd ( ) const

inlineoverridevirtual

Implements molpro::linalg::itsolv::subspace::IXSpace< R, Q, P >.

◆ cparamsp()

template<class R , class Q , class P >

CVecRef< P > molpro::linalg::itsolv::subspace::XSpace< R, Q, P >::cparamsp ( ) const

inlineoverridevirtual

Implements molpro::linalg::itsolv::subspace::IXSpace< R, Q, P >.

◆ cparamsq()

template<class R , class Q , class P >

CVecRef< Q > molpro::linalg::itsolv::subspace::XSpace< R, Q, P >::cparamsq ( ) const

inlineoverridevirtual

Implements molpro::linalg::itsolv::subspace::IXSpace< R, Q, P >.

◆ dimensions()

template<class R , class Q , class P >

const Dimensions & molpro::linalg::itsolv::subspace::XSpace< R, Q, P >::dimensions ( ) const

inlineoverridevirtual

Implements molpro::linalg::itsolv::subspace::IXSpace< R, Q, P >.

◆ erase()

template<class R , class Q , class P >

void molpro::linalg::itsolv::subspace::XSpace< R, Q, P >::erase ( size_t i )

inlineoverridevirtual

Removes parameter i from the full subspace.

Implements molpro::linalg::itsolv::subspace::IXSpace< R, Q, P >.

◆ erased()

template<class R , class Q , class P >

void molpro::linalg::itsolv::subspace::XSpace< R, Q, P >::erased ( size_t i )

inlineoverridevirtual

Removes parameter i from D subspace.

Implements molpro::linalg::itsolv::subspace::IXSpace< R, Q, P >.

◆ erasep()

template<class R , class Q , class P >

void molpro::linalg::itsolv::subspace::XSpace< R, Q, P >::erasep ( size_t i )

inlineoverridevirtual

Removes parameter i from P subspace.

Implements molpro::linalg::itsolv::subspace::IXSpace< R, Q, P >.

◆ eraseq()

template<class R , class Q , class P >

void molpro::linalg::itsolv::subspace::XSpace< R, Q, P >::eraseq ( size_t i )

inlineoverridevirtual

Removes parameter i from Q subspace.

Implements molpro::linalg::itsolv::subspace::IXSpace< R, Q, P >.

◆ get_hermiticity()

template<class R , class Q , class P >

bool molpro::linalg::itsolv::subspace::XSpace< R, Q, P >::get_hermiticity ( )

inline

◆ paramsd() [1/2]

template<class R , class Q , class P >

CVecRef< Q > molpro::linalg::itsolv::subspace::XSpace< R, Q, P >::paramsd ( ) const

inlineoverridevirtual

Implements molpro::linalg::itsolv::subspace::IXSpace< R, Q, P >.

◆ paramsd() [2/2]

template<class R , class Q , class P >

VecRef< Q > molpro::linalg::itsolv::subspace::XSpace< R, Q, P >::paramsd ( )

inlineoverridevirtual

Implements molpro::linalg::itsolv::subspace::IXSpace< R, Q, P >.

◆ paramsp() [1/2]

template<class R , class Q , class P >

CVecRef< P > molpro::linalg::itsolv::subspace::XSpace< R, Q, P >::paramsp ( ) const

inlineoverridevirtual

Implements molpro::linalg::itsolv::subspace::IXSpace< R, Q, P >.

◆ paramsp() [2/2]

template<class R , class Q , class P >

VecRef< P > molpro::linalg::itsolv::subspace::XSpace< R, Q, P >::paramsp ( )

inlineoverridevirtual

Implements molpro::linalg::itsolv::subspace::IXSpace< R, Q, P >.

◆ paramsq() [1/2]

template<class R , class Q , class P >

CVecRef< Q > molpro::linalg::itsolv::subspace::XSpace< R, Q, P >::paramsq ( ) const

inlineoverridevirtual

Implements molpro::linalg::itsolv::subspace::IXSpace< R, Q, P >.

◆ paramsq() [2/2]

template<class R , class Q , class P >

VecRef< Q > molpro::linalg::itsolv::subspace::XSpace< R, Q, P >::paramsq ( )

inlineoverridevirtual

Implements molpro::linalg::itsolv::subspace::IXSpace< R, Q, P >.

◆ remove_data()

template<class R , class Q , class P >

void molpro::linalg::itsolv::subspace::XSpace< R, Q, P >::remove_data ( size_t i )

inlineprotected

◆ rhs()

template<class R , class Q , class P >

CVecRef< Q > molpro::linalg::itsolv::subspace::XSpace< R, Q, P >::rhs ( ) const

inline

Access RHS vectors in linear equations.

◆ rhs_norm()

template<class R , class Q , class P >

const std::vector< value_type_abs > & molpro::linalg::itsolv::subspace::XSpace< R, Q, P >::rhs_norm ( ) const

inline

Norm of RHS vectors.

◆ set_action_action()

template<class R , class Q , class P >

void molpro::linalg::itsolv::subspace::XSpace< R, Q, P >::set_action_action ( )

inline

◆ set_hermiticity()

template<class R , class Q , class P >

void molpro::linalg::itsolv::subspace::XSpace< R, Q, P >::set_hermiticity ( bool hermitian )

inline

Set Hermiticity of the subspace. P space can only be used with Hermitian problems.

◆ set_logger()

template<class R , class Q , class P >

void molpro::linalg::itsolv::subspace::XSpace< R, Q, P >::set_logger ( std::shared_ptr< Logger > logger )

inlineoverridevirtual

Implements molpro::linalg::itsolv::subspace::IXSpace< R, Q, P >.

◆ update_dimensions()

template<class R , class Q , class P >

void molpro::linalg::itsolv::subspace::XSpace< R, Q, P >::update_dimensions ( )

inlineprotected

◆ update_dspace()

template<class R , class Q , class P >

void molpro::linalg::itsolv::subspace::XSpace< R, Q, P >::update_dspace	(	VecRef< Q > &	params,
		VecRef< Q > &	actions
	)

inlineoverridevirtual

Clears old D space container and stores new params and actions.

Parameters

lin_trans_only_R R space component of D

Implements molpro::linalg::itsolv::subspace::IXSpace< R, Q, P >.

◆ update_pspace()

template<class R , class Q , class P >

void molpro::linalg::itsolv::subspace::XSpace< R, Q, P >::update_pspace	(	const CVecRef< P > &	params,
		const array::Span< value_type > &	pp_action_matrix
	)

inlineoverridevirtual

Warning: Subspace should be empty

Implements molpro::linalg::itsolv::subspace::IXSpace< R, Q, P >.

◆ update_qspace()

template<class R , class Q , class P >

void molpro::linalg::itsolv::subspace::XSpace< R, Q, P >::update_qspace	(	const CVecRef< R > &	params,
		const CVecRef< R > &	actions
	)

inlineoverridevirtual

Update parameters in Q space and corresponding equation data.

Implements molpro::linalg::itsolv::subspace::IXSpace< R, Q, P >.

◆ update_rhs_with_pspace()

template<class R , class Q , class P >

auto molpro::linalg::itsolv::subspace::XSpace< R, Q, P >::update_rhs_with_pspace ( )

inlineprotected

Update projection of RHS data onto P space.

Warning: Subspace should contain only P space

Member Data Documentation

◆ dspace

template<class R , class Q , class P >

DSpace<Q> molpro::linalg::itsolv::subspace::XSpace< R, Q, P >::dspace

◆ m_action_dot_action

template<class R , class Q , class P >

bool molpro::linalg::itsolv::subspace::XSpace< R, Q, P >::m_action_dot_action = false

protected

whether the H matrix is action.action instead of action.parameter

◆ m_dim

template<class R , class Q , class P >

Dimensions molpro::linalg::itsolv::subspace::XSpace< R, Q, P >::m_dim

protected

◆ m_handlers

template<class R , class Q , class P >

std::shared_ptr<ArrayHandlers<R, Q, P> > molpro::linalg::itsolv::subspace::XSpace< R, Q, P >::m_handlers

protected

◆ m_hermitian

template<class R , class Q , class P >

bool molpro::linalg::itsolv::subspace::XSpace< R, Q, P >::m_hermitian = false

protected

whether the matrix is Hermitian

◆ m_logger

template<class R , class Q , class P >

std::shared_ptr<Logger> molpro::linalg::itsolv::subspace::XSpace< R, Q, P >::m_logger

protected

◆ m_rhs

template<class R , class Q , class P >

std::vector<Q> molpro::linalg::itsolv::subspace::XSpace< R, Q, P >::m_rhs

protected

Right hand side vectors.

◆ m_rhs_norm

template<class R , class Q , class P >

std::vector<value_type_abs> molpro::linalg::itsolv::subspace::XSpace< R, Q, P >::m_rhs_norm

protected

norm of RHS vectors

◆ pspace

template<class R , class Q , class P >

PSpace<R, P> molpro::linalg::itsolv::subspace::XSpace< R, Q, P >::pspace

◆ qspace

template<class R , class Q , class P >

QSpace<R, Q, P> molpro::linalg::itsolv::subspace::XSpace< R, Q, P >::qspace

Public Member Functions

Public Attributes

Protected Member Functions

Protected Attributes

Additional Inherited Members

Constructor & Destructor Documentation

◆ XSpace()

Member Function Documentation

◆ actionsd() [1/2]

◆ actionsd() [2/2]

◆ actionsq() [1/2]

◆ actionsq() [2/2]

◆ add_rhs_equations()

◆ cactionsd()

◆ cactionsq()

◆ cparamsd()

◆ cparamsp()

◆ cparamsq()

◆ dimensions()

◆ erase()

◆ erased()

◆ erasep()

◆ eraseq()

◆ get_hermiticity()

◆ paramsd() [1/2]

◆ paramsd() [2/2]

◆ paramsp() [1/2]

◆ paramsp() [2/2]

◆ paramsq() [1/2]

◆ paramsq() [2/2]

◆ remove_data()

◆ rhs()

◆ rhs_norm()

◆ set_action_action()

◆ set_hermiticity()

◆ set_logger()

◆ update_dimensions()

◆ update_dspace()

◆ update_pspace()

◆ update_qspace()

◆ update_rhs_with_pspace()

Member Data Documentation

◆ dspace

◆ m_action_dot_action

◆ m_dim

◆ m_handlers

◆ m_hermitian

◆ m_logger

◆ m_rhs

◆ m_rhs_norm

◆ pspace

◆ qspace