#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) |
static void output_diff_norm_values | ( | symmMatrix const & | F1, | |
symmMatrix const & | F2, | |||
ergo_real | acc, | |||
const char * | name | |||
) | [static] |
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] |