opt_data.h File Reference

#include <fstream>
#include <vector>
#include "package.h"
#include "linear_algebra.h"
#include "molecule.h"
#include "print.h"
#include "io.h"

Go to the source code of this file.

Classes
class	opt::STEP_DATA
class	opt::OPT_DATA

Namespaces
	opt

Detailed Description

: header for structure that holds optimization data