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fix_volume_rescale.h
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Sun, Nov 3, 23:08
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Tue, Nov 5, 23:08 (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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