Inheritance diagram for Hartree_Fock:

Collaboration diagram for Hartree_Fock:

Public Member Functions
int	get_rank_e () const

int	get_rank_h () const

int	get_nr_e () const

int	get_nr_h () const

void	update_Veff_e ()

void	update_Veff_h ()

void	switch_to_solve_e ()

void	switch_to_solve_h ()

double	correction_e ()

double	correction_h ()

double	calculate_total_energy () const

void	setup (Parameter_Map &param_map)

virtual void	get_Matrix_row_block (std::vector< col_val > &col_val_vec, const int atom_index)
	Number of blocks. More...

	Hartree_Fock (Parameter_Map &param_map)

Public Member Functions inherited from Sparse_Matrix_Generator
void	dump_sparse_Matrix (const std::string &file_IA, const std::string &file_JA, const std::string &file_values)
	Support for dumping the sparse Matrix.

Public Member Functions inherited from Organize_Blocks
size_t	get_range_size (size_t block_start, size_t nr_blocks) const

Public Member Functions inherited from Organize_Blocks_Single
void	set_nr_blocks (size_t nr)

virtual size_t	get_block_size (size_t block=0) const

virtual size_t	get_base_index (size_t block) const

virtual size_t	get_nr_blocks () const

virtual size_t	get_DIM () const

	Organize_Blocks_Single (size_t nr=0)

Additional Inherited Members
Protected Attributes inherited from Organize_Blocks_Single
size_t	nrblocks

Member Function Documentation

void Hartree_Fock::get_Matrix_row_block	(	std::vector< col_val > &	col_val_vec,
		const int	atom_index
	)

virtual

Number of blocks.

This is the important function for the interface

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

Public Member Functions