bond_fene.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 BOND_CLASS

	BondStyle(fene,BondFENE)

	#else

	#ifndef LMP_BOND_FENE_H
	#define LMP_BOND_FENE_H

	#include "stdio.h"
	#include "bond.h"

	namespace LAMMPS_NS {

	class BondFENE : public Bond {
	public:
	BondFENE(class LAMMPS *);
	virtual ~BondFENE();
	virtual void compute(int, int);
	void coeff(int, char **);
	void init_style();
	double equilibrium_distance(int);
	void write_restart(FILE *);
	void read_restart(FILE *);
	double single(int, double, int, int);

	protected:
	double TWO_1_3;
	double k,r0,epsilon,sigma;

	void allocate();
	};

	}

	#endif
	#endif