fix_langevin.h
284c1f2d04aclammm-master-deprecated

fix_langevin.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 FIX_LANGEVIN_H
			#define FIX_LANGEVIN_H

			#include "fix.h"

			namespace LAMMPS_NS {

			class FixLangevin : public Fix {
			public:
			FixLangevin(class LAMMPS , int, char *);
			~FixLangevin();
			int setmask();
			void init();
			void setup();
			void post_force(int);
			void post_force_respa(int, int, int);
			void reset_target(double);

			private:
			double t_start,t_stop,t_period;
			int flagx,flagy,flagz,iregion;
			double gfactor1,gfactor2,*ratio;

			int nlevels_respa;
			class RanMars *random;
			};

			}

			#endif