ergo
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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) |
Class for self-consistent field (SCF) procedure; base class that can be used for both restricted and unrestricted cases.
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static |
References A, do_output(), LOG_AREA_SCF, LOG_CAT_INFO, and template_blas_sqrt().
Referenced by SCF_general::SCF_general().