Psi4
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psi::mcscf::SBlockMatrix Class Reference

#include <sblock_matrix.h>

Public Member Functions

 SBlockMatrix ()
 
 SBlockMatrix (std::string label, int nirreps, size_t *&rows_size, size_t *&cols_size)
 
 SBlockMatrix (std::string label, int nirreps, int *&rows_size, int *&cols_size)
 
 SBlockMatrix (std::string label, int nirreps, vecint &rows_size, vecint &cols_size)
 
 ~SBlockMatrix ()
 
void allocate (std::string label, int nirreps, size_t *&rows_size, size_t *&cols_size)
 
void allocate (std::string label, int nirreps, int *&rows_size, int *&cols_size)
 
void allocate (std::string label, int nirreps, vecint &rows_size, vecint &cols_size)
 
void subtract_reference ()
 
 SBlockMatrix (SBlockMatrix &src)
 
SBlockMatrixoperator= (SBlockMatrix &src)
 
SBlockMatrixoperator+= (SBlockMatrix &src)
 
SBlockMatrixoperator-= (SBlockMatrix &src)
 
const BlockMatrixoperator-> () const
 
BlockMatrixoperator-> ()
 
BlockMatrixgetBlockMatrix ()
 
void multiply (bool transpose_A, bool transpose_B, SBlockMatrix &A, SBlockMatrix &B)
 
void diagonalize (SBlockMatrix &eigenmatrix, SBlockVector &eigenvalues)
 
void transpose ()
 
void scale (double factor)
 
bool is_allocated ()
 
void check (const char *cstr)
 

Private Member Functions

 SBlockMatrix (BlockMatrix *block_matrix)
 

Private Attributes

BlockMatrixblock_matrix_
 

Friends

double dot (SBlockMatrix &A, SBlockMatrix &B)
 

Constructor & Destructor Documentation

psi::mcscf::SBlockMatrix::SBlockMatrix ( )
psi::mcscf::SBlockMatrix::SBlockMatrix ( std::string  label,
int  nirreps,
size_t *&  rows_size,
size_t *&  cols_size 
)
psi::mcscf::SBlockMatrix::SBlockMatrix ( std::string  label,
int  nirreps,
int *&  rows_size,
int *&  cols_size 
)
psi::mcscf::SBlockMatrix::SBlockMatrix ( std::string  label,
int  nirreps,
vecint rows_size,
vecint cols_size 
)
psi::mcscf::SBlockMatrix::~SBlockMatrix ( )
inline
psi::mcscf::SBlockMatrix::SBlockMatrix ( SBlockMatrix src)
psi::mcscf::SBlockMatrix::SBlockMatrix ( BlockMatrix block_matrix)
private

Member Function Documentation

void psi::mcscf::SBlockMatrix::allocate ( std::string  label,
int  nirreps,
size_t *&  rows_size,
size_t *&  cols_size 
)
void psi::mcscf::SBlockMatrix::allocate ( std::string  label,
int  nirreps,
int *&  rows_size,
int *&  cols_size 
)
void psi::mcscf::SBlockMatrix::allocate ( std::string  label,
int  nirreps,
vecint rows_size,
vecint cols_size 
)
void psi::mcscf::SBlockMatrix::check ( const char *  cstr)
void psi::mcscf::SBlockMatrix::diagonalize ( SBlockMatrix eigenmatrix,
SBlockVector eigenvalues 
)
BlockMatrix* psi::mcscf::SBlockMatrix::getBlockMatrix ( )
inline
bool psi::mcscf::SBlockMatrix::is_allocated ( )
inline
void psi::mcscf::SBlockMatrix::multiply ( bool  transpose_A,
bool  transpose_B,
SBlockMatrix A,
SBlockMatrix B 
)
SBlockMatrix & psi::mcscf::SBlockMatrix::operator+= ( SBlockMatrix src)
SBlockMatrix & psi::mcscf::SBlockMatrix::operator-= ( SBlockMatrix src)
const BlockMatrix* psi::mcscf::SBlockMatrix::operator-> ( ) const
inline
BlockMatrix* psi::mcscf::SBlockMatrix::operator-> ( )
inline
SBlockMatrix & psi::mcscf::SBlockMatrix::operator= ( SBlockMatrix src)
void psi::mcscf::SBlockMatrix::scale ( double  factor)
inline
void psi::mcscf::SBlockMatrix::subtract_reference ( )
inline
void psi::mcscf::SBlockMatrix::transpose ( )
inline

Friends And Related Function Documentation

double dot ( SBlockMatrix A,
SBlockMatrix B 
)
friend

Member Data Documentation

BlockMatrix* psi::mcscf::SBlockMatrix::block_matrix_
private

The documentation for this class was generated from the following files: