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)

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Function Documentation

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]

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