fix_nvt.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.
	------------------------------------------------------------------------- */

	#ifndef FIX_NVT_H
	#define FIX_NVT_H

	#include "fix.h"

	namespace LAMMPS_NS {

	class FixNVT : public Fix {
	public:
	FixNVT(class LAMMPS , int, char *);
	virtual ~FixNVT();
	int setmask();
	virtual void init();
	void setup(int);
	virtual void initial_integrate(int);
	virtual void final_integrate();
	virtual void initial_integrate_respa(int, int, int);
	void final_integrate_respa(int);
	double compute_scalar();
	void write_restart(FILE *);
	void restart(char *);
	int modify_param(int, char **);
	void reset_target(double);
	void reset_dt();

	protected:
	int which;
	double t_start,t_stop;
	double t_current,t_target;
	double t_freq,drag,drag_factor;
	double f_eta,eta_dot,eta,factor;
	double dtv,dtf,dthalf;

	int nlevels_respa;
	double *step_respa;

	char *id_temp;
	class Compute *temperature;
	int tflag;
	};

	}

	#endif