fix_minimize.h
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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.
	------------------------------------------------------------------------- */

	#ifdef FIX_CLASS

	FixStyle(MINIMIZE,FixMinimize)

	#else

	#ifndef LMP_FIX_MINIMIZE_H
	#define LMP_FIX_MINIMIZE_H

	#include "fix.h"

	namespace LAMMPS_NS {

	class FixMinimize : public Fix {
	friend class MinLineSearch;

	public:
	FixMinimize(class LAMMPS , int, char *);
	~FixMinimize();
	int setmask();
	void init() {}

	double memory_usage();
	void grow_arrays(int);
	void copy_arrays(int, int);
	int pack_exchange(int, double *);
	int unpack_exchange(int, double *);

	void add_vector(int);
	double *request_vector(int);
	void store_box();
	void reset_coords();

	private:
	int nvector;
	int *peratom;
	double **vectors;
	double boxlo[3],boxhi[3];

	void box_swap();
	};

	}

	#endif
	#endif
	/* ERROR/WARNING messages:

	*/