bond_gromos.h
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	/* -- c++ -- ----------------------------------------------------------
	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(gromos,BondGromos)

	#else

	#ifndef LMP_BOND_GROMOS_H
	#define LMP_BOND_GROMOS_H

	#include <stdio.h>
	#include "bond.h"

	namespace LAMMPS_NS {

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

	protected:
	double k,r0;

	virtual void allocate();
	};

	}

	#endif
	#endif

	/* ERROR/WARNING messages:

	E: Incorrect args for bond coefficients

	Self-explanatory. Check the input script or data file.

	*/