fix_nve_awpmd.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.
	------------------------------------------------------------------------- */

	/* ----------------------------------------------------------------------
	Contributing author: Ilya Valuev (JIHT RAS)
	------------------------------------------------------------------------- */

	#ifdef FIX_CLASS

	FixStyle(nve/awpmd,FixNVEAwpmd)

	#else

	#ifndef LMP_FIX_NVE_awpmd_H
	#define LMP_FIX_NVE_awpmd_H

	#include "fix.h"
	#include "pair_awpmd_cut.h"

	namespace LAMMPS_NS {

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

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

	PairAWPMDCut *awpmd_pair;
	};

	}

	#endif
	#endif