Psi4
Public Member Functions | Private Attributes | List of all members
psi::sapt::CPHFDIIS Class Reference

#include <sapt.h>

Public Member Functions

 CPHFDIIS (int, int)
 
 ~CPHFDIIS ()
 
void store_vectors (double *, double *)
 
void get_new_vector (double *)
 

Private Attributes

int max_diis_vecs_
 
size_t vec_length_
 
int curr_vec_
 
int num_vecs_
 
double ** t_vecs_
 
double ** err_vecs_
 

Constructor & Destructor Documentation

psi::sapt::CPHFDIIS::CPHFDIIS ( int  length,
int  maxvec 
)
psi::sapt::CPHFDIIS::~CPHFDIIS ( )

Member Function Documentation

void psi::sapt::CPHFDIIS::get_new_vector ( double *  t_vec)
void psi::sapt::CPHFDIIS::store_vectors ( double *  t_vec,
double *  err_vec 
)

Member Data Documentation

int psi::sapt::CPHFDIIS::curr_vec_
private
double** psi::sapt::CPHFDIIS::err_vecs_
private
int psi::sapt::CPHFDIIS::max_diis_vecs_
private
int psi::sapt::CPHFDIIS::num_vecs_
private
double** psi::sapt::CPHFDIIS::t_vecs_
private
size_t psi::sapt::CPHFDIIS::vec_length_
private

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