45 lines
1.1 KiB
C++
45 lines
1.1 KiB
C++
/* ----------------------------------------------------------------------
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LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
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http://lammps.sandia.gov, Sandia National Laboratories
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Steve Plimpton, sjplimp@sandia.gov
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Copyright (2003) Sandia Corporation. Under the terms of Contract
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DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
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certain rights in this software. This software is distributed under
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the GNU General Public License.
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See the README file in the top-level LAMMPS directory.
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------------------------------------------------------------------------- */
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#ifndef FIX_TEMP_RESCALE_H
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#define FIX_TEMP_RESCALE_H
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#include "fix.h"
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namespace LAMMPS_NS {
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class FixTempRescale : public Fix {
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public:
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FixTempRescale(class LAMMPS *, int, char **);
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~FixTempRescale();
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int setmask();
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void init();
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void end_of_step();
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int modify_param(int, char **);
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void reset_target(double);
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double compute_scalar();
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private:
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int which;
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double t_start,t_stop,t_window;
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double fraction,energy,efactor;
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char *id_temp;
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class Compute *temperature;
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int tflag;
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};
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}
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#endif
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