ergo
SCF_restricted.cc File Reference
#include <sstream>
#include "SCF_restricted.h"
#include "output.h"
#include "scf_utils.h"
#include "utilities.h"
#include "diis_restricted.h"
#include "density_projection.h"
#include "densfromf_general.h"
#include "density_description_file_2.h"
#include "matrix_utilities.h"
#include "matrix_utilities_gao.h"
#include "machine_epsilon.h"
#include "tdhf_dynamics.h"
#include "units.h"
#include "atom_labels.h"

Classes

struct  RandomNumber

Functions

static void output_diff_norm_values (symmMatrix const &F1, symmMatrix const &F2, ergo_real acc, const char *name)
static void output_orbital_coeffs_in_gabedit_order (const BasisInfoStruct &basisInfo, std::vector< int > const &shellIdxList, std::ofstream &ff, std::vector< ergo_real > const &orbital_vec)

Function Documentation

static void output_orbital_coeffs_in_gabedit_order ( const BasisInfoStruct basisInfo,
std::vector< int > const &  shellIdxList,
std::ofstream &  ff,
std::vector< ergo_real > const &  orbital_vec 
)
static