minimize.cpp
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	/* ----------------------------------------------------------------------
	LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
	http://lammps.sandia.gov, Sandia National Laboratories
	Steve Plimpton, sjplimp@sandia.gov

	Copyright (2003) Sandia Corporation. Under the terms of Contract
	DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
	certain rights in this software. This software is distributed under
	the GNU General Public License.

	See the README file in the top-level LAMMPS directory.
	------------------------------------------------------------------------- */

	#include "stdlib.h"
	#include "minimize.h"
	#include "domain.h"
	#include "update.h"
	#include "min.h"
	#include "finish.h"
	#include "error.h"

	using namespace LAMMPS_NS;

	/* ---------------------------------------------------------------------- */

	Minimize::Minimize(LAMMPS *lmp) : Pointers(lmp) {}

	/* ---------------------------------------------------------------------- */

	void Minimize::command(int narg, char **arg)
	{
	if (narg != 3) error->all("Illegal minimize command");

	if (domain->box_exist == 0)
	error->all("Minimize command before simulation box is defined");

	update->tolerance = atof(arg[0]);
	update->nsteps = atoi(arg[1]);
	update->max_eval = atoi(arg[2]);

	update->beginstep = update->firststep = update->ntimestep;
	update->endstep = update->laststep = update->firststep + update->nsteps;

	update->whichflag = 1;

	lmp->init();
	update->minimize->run();

	Finish finish(lmp);
	finish.end(1);
	update->whichflag = -1;
	}