#include <SubspaceUpdate.hpp>

Inheritance diagram for GQCP::SubspaceUpdate:

Collaboration diagram for GQCP::SubspaceUpdate:

Public Member Functions
	SubspaceUpdate (const size_t maximum_subspace_dimension=15, const double threshold=1.0e-03)

std::string	description () const override

void	execute (EigenproblemEnvironment< double > &environment) override

Public Member Functions inherited from GQCP::Step< EigenproblemEnvironment< double > >
virtual	~Step ()=default

virtual std::string	description () const=0

virtual void	execute (Environment &environment)=0

Additional Inherited Members
Public Types inherited from GQCP::Step< EigenproblemEnvironment< double > >
using	Environment = EigenproblemEnvironment< double >

Detailed Description

A step that adds projected correction vectors to the subspace (if their norm is large enough) and collapses the subspace if it becomes too large.

Constructor & Destructor Documentation

◆ SubspaceUpdate()

GQCP::SubspaceUpdate::SubspaceUpdate	(	const size_t	maximum_subspace_dimension = `15`,
		const double	threshold = `1.0e-03`
	)

inline

Parameters

maximum_subspace_dimension	the maximum dimension of the subspace before collapsing
threshold	the threshold on the norm used for determining if a new projected correction vector should be added to the subspace

Member Function Documentation

◆ description()

std::string GQCP::SubspaceUpdate::description ( ) const

inlineoverridevirtual

Returns: a textual description of this algorithmic step

Implements GQCP::Step< EigenproblemEnvironment< double > >.

◆ execute()

void GQCP::SubspaceUpdate::execute ( EigenproblemEnvironment< double > & environment )

inlineoverridevirtual

Add projected correction vectors to the subspace (if their norm is large enough) and collapse the subspace becomes too large. The new subspace vectors (after a collapse) are linear combinations of current subspace vectors, with coefficients found in the lowest eigenvectors of the subspace matrix.

Parameters

environment the environment that acts as a sort of calculation space