dihedral.h
7d398e213b0dlammps-icms

dihedral.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_H
			#define DIHEDRAL_H

			#include "stdio.h"
			#include "pointers.h"

			namespace LAMMPS_NS {

			class Dihedral : protected Pointers {
			public:
			int allocated;
			int *setflag;
			double energy;
			double eng_vdwl,eng_coul;
			double virial[6];
			double PI;

			Dihedral(class LAMMPS *);
			virtual ~Dihedral() {}
			virtual void init();
			virtual void init_style() {}

			virtual void compute(int, int) = 0;
			virtual void settings(int, char **) {}
			virtual void coeff(int, int, char **) = 0;
			virtual void write_restart(FILE *) = 0;
			virtual void read_restart(FILE *) = 0;
			virtual double memory_usage() {return 0.0;}
			};

			}

			#endif