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fix_temp_rescale_eff.h
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Sat, May 25, 12:50

fix_temp_rescale_eff.h

/* -*- 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

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