#include <SubspaceMatrixDiagonalization.hpp>

Inheritance diagram for GQCP::SubspaceMatrixDiagonalization:

Collaboration diagram for GQCP::SubspaceMatrixDiagonalization:

Public Member Functions
	SubspaceMatrixDiagonalization (const size_t number_of_requested_eigenpairs=1)

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

An iteration step that diagonalizes the subspace matrix, i.e. the projection of the matrix A onto the subspace spanned by the vectors in V.

Constructor & Destructor Documentation

◆ SubspaceMatrixDiagonalization()

GQCP::SubspaceMatrixDiagonalization::SubspaceMatrixDiagonalization ( const size_t number_of_requested_eigenpairs = 1 )

inline

Parameters

number_of_requested_eigenpairs the number of solutions the Davidson solver should find

Member Function Documentation

◆ description()

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

inlineoverridevirtual

Returns: a textual description of this algorithmic step

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

◆ execute()

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

inlineoverridevirtual

Diagonalize the subspace matrix, i.e. the projection of the matrix A onto the subspace spanned by the vectors in V, and write its eigenvalues and eigenvectors to the environment.

Parameters

environment the environment that acts as a sort of calculation space