ergo
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#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) |
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