pair_lj_gromacs.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 PAIR_CLASS

	PairStyle(lj/gromacs,PairLJGromacs)

	#else

	#ifndef LMP_PAIR_LJ_GROMACS_H
	#define LMP_PAIR_LJ_GROMACS_H

	#include "pair.h"

	namespace LAMMPS_NS {

	class PairLJGromacs : public Pair {
	public:
	PairLJGromacs(class LAMMPS *);
	virtual ~PairLJGromacs();
	virtual void compute(int, int);
	virtual void settings(int, char **);
	void coeff(int, char **);
	double init_one(int, int);
	void write_restart(FILE *);
	void read_restart(FILE *);
	virtual void write_restart_settings(FILE *);
	virtual void read_restart_settings(FILE *);
	virtual double single(int, int, int, int, double, double, double, double &);

	protected:
	double cut_inner_global,cut_global;
	double cut,cut_inner,**cut_inner_sq;
	double epsilon,sigma;
	double lj1,lj2,lj3,lj4;
	double ljsw1,ljsw2,ljsw3,ljsw4,**ljsw5;

	void allocate();
	};

	}

	#endif
	#endif