fix_temp_rescale_eff.h
e368acdaeb22master

fix_temp_rescale_eff.h
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			/* -- c++ -- ----------------------------------------------------------
			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 FIX_CLASS

			FixStyle(temp/rescale/eff,FixTempRescaleEff)

			#else

			#ifndef LMP_FIX_TEMP_RESCALE_EFF_H
			#define LMP_FIX_TEMP_RESCALE_EFF_H

			#include "fix.h"

			namespace LAMMPS_NS {

			class FixTempRescaleEff : public Fix {
			public:
			FixTempRescaleEff(class LAMMPS , int, char *);
			virtual ~FixTempRescaleEff();
			int setmask();
			void init();
			virtual void end_of_step();
			int modify_param(int, char **);
			void reset_target(double);
			double compute_scalar();

			protected:
			int which;
			double t_start,t_stop,t_window;
			double fraction,energy,efactor;

			char *id_temp;
			class Compute *temperature;
			int tflag;
			};

			}

			#endif
			#endif