dihedral_helix.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 DIHEDRAL_CLASS

	DihedralStyle(helix,DihedralHelix)

	#else

	#ifndef LMP_DIHEDRAL_HELIX_H
	#define LMP_DIHEDRAL_HELIX_H

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

	namespace LAMMPS_NS {

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

	protected:
	double aphi,bphi,*cphi;

	void allocate();
	};

	}

	#endif
	#endif