improper_cvff.h
No OneTemporary
Actions

Subscribers

None

File Metadata

	/* -- 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 IMPROPER_CLASS

	ImproperStyle(cvff,ImproperCvff)

	#else

	#ifndef LMP_IMPROPER_CVFF_H
	#define LMP_IMPROPER_CVFF_H

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

	namespace LAMMPS_NS {

	class ImproperCvff : public Improper {
	public:
	ImproperCvff(class LAMMPS *);
	virtual ~ImproperCvff();
	virtual void compute(int, int);
	void coeff(int, char **);
	void write_restart(FILE *);
	void read_restart(FILE *);
	void write_data(FILE *);

	protected:
	double *k;
	int sign,multiplicity;

	void allocate();
	};

	}

	#endif
	#endif

	/* ERROR/WARNING messages:

	W: Improper problem: %d %ld %d %d %d %d

	Conformation of the 4 listed improper atoms is extreme; you may want
	to check your simulation geometry.

	E: Incorrect args for improper coefficients

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

	*/