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fix_nvk.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(nvk,FixNVK)

	#else

	#ifndef LMP_FIX_NVK_H
	#define LMP_FIX_NVK_H

	#include "fix.h"

	namespace LAMMPS_NS {

	class FixNVK : public Fix {
	public:
	FixNVK(class LAMMPS , int, char *);
	virtual ~FixNVK() {}
	int setmask();
	virtual void init();
	virtual void initial_integrate(int);
	virtual void final_integrate();
	virtual void initial_integrate_respa(int, int, int);
	virtual void final_integrate_respa(int, int);
	virtual void reset_dt();

	protected:
	double dtv,dtf;
	double *step_respa;
	int mass_require;
	double K_target;
	};

	}

	#endif
	#endif

	/* ERROR/WARNING messages:

	E: Illegal ... command

	Self-explanatory. Check the input script syntax and compare to the
	documentation for the command. You can use -echo screen as a
	command-line option when running LAMMPS to see the offending line.

	E: Fix nvk only supports group all

	Self-explanatory.

	E: Fix nvk not yet enabled for RESPA

	Self-explanatory.

	*/