molecule_backstep.cc File Reference

#include "molecule.h"
#include <iostream>
#include <sstream>
#include "linear_algebra.h"
#include "atom_data.h"
#include "psi4/optking/physconst.h"
#include "print.h"
#include "globals.h"
#include <cmath>

Namespaces
	opt

Macros
#define	EXTERN

Functions
double	opt::DE_nr_energy (double step, double grad, double hess)
double	opt::DE_rfo_energy (double rfo_t, double rfo_g, double rfo_h)

Macro Definition Documentation

#define EXTERN