psi::psimrcc::CCBLAS Class Reference

#include <blas.h>

List of all members.

Public Types
typedef std::vector< std::string >	strvec
typedef std::vector< int >	intvec
typedef std::vector< std::pair < int, int > >	intpairvec
typedef std::deque< CCOperation >	OpDeque
Public Member Functions
void	add_Matrix (const char *cstr)
void	add_Matrix (std::string str)
void	add_index (const char *cstr)
void	solve (const char *cstr)
void	solve (std::string str)
void	solve_zero_two_diagonal (const char *cstr)
void	zero_right_four_diagonal (const char *cstr)
void	zero_left_four_diagonal (const char *cstr)
void	zero_non_doubly_occupied (const char *cstr)
void	zero_non_external (const char *cstr)
void	zero (const char *cstr)
void	reduce_spaces (const char *out, const char *in)
void	expand_spaces (const char *out, const char *in)
void	append (const char *cstr)
void	append (std::string str)
void	append_zero_two_diagonal (const char *cstr)
void	compute ()
int	compute_storage_strategy ()
void	show_storage ()
void	diis_add (std::string amps, std::string delta_amps)
void	diis_save_t_amps (int cycle)
void	diis (int cycle, double delta, DiisType diis_type)
void	print (const char *cstr)
void	print_ref (std::string &str)
void	print_memory ()
CCIndex *	get_index (const char *cstr)
CCIndex *	get_index (std::string &str)
CCMatTmp	get_MatTmp (std::string str, int reference, DiskOpt disk_option)
CCMatTmp	get_MatTmp (std::string str, DiskOpt disk_option)
CCMatTmp	get_MatTmp (CCMatrix *Matrix, DiskOpt disk_option)
CCMatIrTmp	get_MatIrTmp (std::string str, int reference, int irrep, DiskOpt disk_option)
CCMatIrTmp	get_MatIrTmp (std::string str, int irrep, DiskOpt disk_option)
CCMatIrTmp	get_MatIrTmp (CCMatrix *Matrix, int irrep, DiskOpt disk_option)
double	get_scalar (std::string str)
double	get_scalar (const char *cstr, int reference)
double	get_scalar (std::string &str, int reference)
void	set_scalar (const char *cstr, int reference, double value)
void	set_scalar (std::string &str, int reference, double value)
MatrixMap &	get_MatrixMap ()

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Detailed Description

Author:

Francesco A. Evangelista and Andrew C. Simmonett <frank@ccc.uga.edu>

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Member Function Documentation

void psi::psimrcc::CCBLAS::solve

(

const char *

cstr

)

Read and compute an expression

Parameters:

cstr

void psi::psimrcc::CCBLAS::solve_zero_two_diagonal

(

const char *

cstr

)

store a zero_two_diagonal operation and executing it

Parameters:

str

void psi::psimrcc::CCBLAS::append

(

const char *

cstr

)

Read and store expressions without computing them

Parameters:

cstr

void psi::psimrcc::CCBLAS::append_zero_two_diagonal

(

const char *

cstr

)

store a zero_two_diagonal operation without executing it

Parameters:

cstr

void psi::psimrcc::CCBLAS::compute

(

)

Flush the operation deque Flush the operation deque in a memory smart way!

int psi::psimrcc::CCBLAS::compute_storage_strategy

(

)

This routine computes which quantities have to be initially stored in memory and which on disk

void psi::psimrcc::CCBLAS::show_storage

(

)

This routine computes which quantities have to be initially stored in memory and which on disk

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

• blas.h
• blas.cc
• blas_algorithms.cc
• blas_diis.cc
• blas_interface.cc
• blas_parser.cc
• blas_solve.cc