fix_wall_lj126.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 FIX_WALL_LJ126_H
	#define FIX_WALL_LJ126_H

	#include "fix.h"

	class FixWallLJ126 : public Fix {
	public:
	FixWallLJ126(int, char **);
	~FixWallLJ126() {}
	int setmask();
	void init();
	void setup();
	void min_setup();
	void post_force(int);
	void post_force_respa(int, int, int);
	void min_post_force(int);

	int thermo_fields(int, int , char *);
	int thermo_compute(double *);

	private:
	int dim,side,thermo_flag,eflag_on;
	double coord,epsilon,sigma,cutoff;
	double coeff1,coeff2,coeff3,coeff4,offset;
	double eng,etotal;
	int nlevels_respa;
	};

	#endif