fix_gle.h
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	/* -- c++ -- ----------------------------------------------------------
	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(gle,FixGLE)

	#else

	#ifndef LMP_FIX_GLE_H
	#define LMP_FIX_GLE_H

	#include "fix.h"

	namespace LAMMPS_NS {

	class FixGLE : public Fix {
	public:
	FixGLE(class LAMMPS , int, char *);
	virtual ~FixGLE();
	int setmask();
	void init();
	void setup(int);
	void gle_integrate();
	void initial_integrate_respa(int vflag, int ilevel, int iloop);
	void final_integrate_respa(int ilevel, int iloop);
	void initial_integrate(int vflag);
	void final_integrate();
	double compute_scalar();
	virtual void extract(const char , int &);

	protected:
	int ns;
	double A, C, S, T;
	double gle_tmp, gle_rnd; int gle_buff;
	double temp, tau, dtv, dtf;
	int dogle;
	int dorattle;
	class RanMars *random;
	double *sqrt_m;
	double *step_respa;
	double energy;
	int nlevels_respa;

	double **vaux;
	};

	}

	#endif
	#endif