dihedral_class2.h
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	/* ----------------------------------------------------------------------
	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.
	------------------------------------------------------------------------- */

	#ifndef DIHEDRAL_CLASS2_H
	#define DIHEDRAL_CLASS2_H

	#include "stdio.h"
	#include "dihedral.h"

	namespace LAMMPS_NS {

	class DihedralClass2 : public Dihedral {
	public:
	DihedralClass2(class LAMMPS *);
	~DihedralClass2();
	void compute(int, int);
	void coeff(int, int, char **);
	void write_restart(FILE *);
	void read_restart(FILE *);

	private:
	double k1,k2,*k3;
	double phi1,phi2,*phi3;
	double mbt_f1,mbt_f2,mbt_f3,mbt_r0;
	double ebt_f1_1,ebt_f2_1,ebt_f3_1,ebt_r0_1;
	double ebt_f1_2,ebt_f2_2,ebt_f3_2,ebt_r0_2;
	double at_f1_1,at_f2_1,at_f3_1,at_theta0_1;
	double at_f1_2,at_f2_2,at_f3_2,at_theta0_2;
	double aat_k,aat_theta0_1,*aat_theta0_2;
	double bb13t_k,bb13t_r10,*bb13t_r30;
	int setflag_d,setflag_mbt,*setflag_ebt;
	int setflag_at,setflag_aat,*setflag_bb13t;
	double PI;

	void allocate();
	};

	}

	#endif