pair_lj_class2_coul_long.h
No OneTemporary
Actions

Subscribers

None

File Metadata

	/* ----------------------------------------------------------------------
	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 PAIR_LJ_CLASS2_COUL_LONG_H
	#define PAIR_LJ_CLASS2_COUL_LONG_H

	#include "pair.h"

	namespace LAMMPS_NS {

	class PairLJClass2CoulLong : public Pair {
	public:
	PairLJClass2CoulLong(class LAMMPS *);
	~PairLJClass2CoulLong();
	void compute(int, int);
	void settings(int, char **);
	void coeff(int, char **);
	void init_style();
	double init_one(int, int);
	void write_restart(FILE *);
	void read_restart(FILE *);
	void write_restart_settings(FILE *);
	void read_restart_settings(FILE *);
	void single(int, int, int, int, double, double, double, int, One &);
	void extract(char );

	private:
	double cut_lj_global;
	double cut_lj,cut_ljsq;
	double cut_coul,cut_coulsq;
	double epsilon,sigma;
	double lj1,lj2,lj3,lj4,**offset;
	double g_ewald;

	void allocate();
	};

	}

	#endif