pair_coul_wolf.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.
	------------------------------------------------------------------------- */

	#ifdef PAIR_CLASS

	PairStyle(coul/wolf,PairCoulWolf)

	#else

	#ifndef LMP_PAIR_COUL_WOLF_H
	#define LMP_PAIR_COUL_WOLF_H

	#include "pair.h"

	namespace LAMMPS_NS {

	class PairCoulWolf : public Pair {
	public:
	PairCoulWolf(class LAMMPS *);
	~PairCoulWolf();
	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 *);
	double single(int, int, int, int, double, double, double, double &);

	private:
	double cut_coul,cut_coulsq;
	double alf,e_shift,f_shift;

	void allocate();
	};

	}

	#endif
	#endif