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fix_volume_rescale.h
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Tue, Jul 1, 09:12
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Thu, Jul 3, 09:12 (2 d)
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rLAMMPS lammps
fix_volume_rescale.h
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/* ----------------------------------------------------------------------
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
www.cs.sandia.gov/~sjplimp/lammps.html
Steve Plimpton, sjplimp@sandia.gov, Sandia National Laboratories
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_VOL_RESCALE_H
#define FIX_VOL_RESCALE_H
#include "fix.h"
class FixVolRescale : public Fix {
public:
FixVolRescale(int, char **);
~FixVolRescale();
int setmask();
void init();
void end_of_step();
private:
int xflag,yflag,zflag;
double xlo_start,xlo_stop,xhi_start,xhi_stop;
double ylo_start,ylo_stop,yhi_start,yhi_stop;
double zlo_start,zlo_stop,zhi_start,zhi_stop;
int kspace_flag; // 1 if KSpace invoked, 0 if not
int nrigid; // number of rigid fixes
int *rfix; // indices of rigid fixes
};
#endif
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