angle_charmm.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 ANGLE_CLASS

	AngleStyle(charmm,AngleCharmm)

	#else

	#ifndef LMP_ANGLE_CHARMM_H
	#define LMP_ANGLE_CHARMM_H

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

	namespace LAMMPS_NS {

	class AngleCharmm : public Angle {
	public:
	AngleCharmm(class LAMMPS *);
	virtual ~AngleCharmm();
	virtual void compute(int, int);
	virtual void coeff(int, char **);
	double equilibrium_angle(int);
	void write_restart(FILE *);
	void read_restart(FILE *);
	void write_data(FILE *);
	double single(int, int, int, int);

	protected:
	double k,theta0,k_ub,r_ub;

	virtual void allocate();
	};

	}

	#endif
	#endif

	/* ERROR/WARNING messages:

	E: Incorrect args for angle coefficients

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

	*/