pair_lj_charmm_coul_charmm.h
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	/* ----------------------------------------------------------------------
	LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
	www.cs.sandia.gov/~sjplimp/lammps.html
	Steve Plimpton, sjplimp@sandia.gov, Sandia National Laboratories

	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 PAIR_LJ_CHARMM_COUL_CHARMM_H
	#define PAIR_LJ_CHARMM_COUL_CHARMM_H

	#include "pair.h"

	class PairLJCharmmCoulCharmm : public Pair {
	public:
	// these variables are public so DihedralCharmm can see them
	double lj14_1,lj14_2,lj14_3,lj14_4;

	PairLJCharmmCoulCharmm() {}
	~PairLJCharmmCoulCharmm();
	virtual void compute(int, int);
	void settings(int, char **);
	void coeff(int, char **);
	double init_one(int, int);
	void init_style();
	void write_restart(FILE *);
	void read_restart(FILE *);
	void write_restart_settings(FILE *);
	void read_restart_settings(FILE *);
	virtual void single(int, int, int, int, double, double, double, int, One &);

	protected:
	double cut_lj_inner,cut_lj,cut_coul_inner,cut_coul;
	double cut_lj_innersq,cut_ljsq,cut_coul_innersq,cut_coulsq,cut_bothsq;
	double denom_lj,denom_coul;
	double epsilon,sigma,eps14,sigma14;
	double lj1,lj2,lj3,lj4;

	void allocate();
	};

	#endif