SCF_general.cc File Reference

Class for self-consistent field (SCF) procedure; base class that can be used for both restricted and unrestricted cases. More...

#include <sstream>
#include <sys/types.h>
#include <unistd.h>
#include "SCF_general.h"
#include "output.h"
#include "scf_utils.h"
#include "matrix_utilities.h"
#include "utilities.h"
#include "integral_matrix_wrappers.h"
#include "machine_epsilon.h"
#include "units.h"
#include "SCF_statistics.h"
#include "AllocatorManager.h"

Functions
static ergo_real	get_eucl_norm_try_different_acc (const symmMatrix &A, ergo_real &acc)

Detailed Description

Class for self-consistent field (SCF) procedure; base class that can be used for both restricted and unrestricted cases.

Author

: Elias Rudberg responsible.

Function Documentation

get_eucl_norm_try_different_acc()

ergo_real get_eucl_norm_try_different_acc ( const symmMatrix & A, ergo_real & acc )

static

References A, do_output(), mat::getMachineEpsilon(), LOG_AREA_SCF, LOG_CAT_INFO, and template_blas_sqrt().

Referenced by SCF_general::SCF_general().