fix_recenter.h
284c1f2d04aclammm-master-deprecated

fix_recenter.h
View Options

			/* ----------------------------------------------------------------------
			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 FIX_RECENTER_H
			#define FIX_RECENTER_H

			#include "fix.h"

			namespace LAMMPS_NS {

			class FixRecenter : public Fix {
			public:
			FixRecenter(class LAMMPS , int, char *);
			int setmask();
			void init();
			void initial_integrate();

			private:
			int group2bit,scaleflag;
			int xflag,yflag,zflag;
			int xinitflag,yinitflag,zinitflag;
			double xcom,ycom,zcom,xinit,yinit,zinit,masstotal;
			};

			}

			#endif