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fix_recenter.h
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Created
Sun, Oct 20, 02:02
Size
1 KB
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text/x-c
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Tue, Oct 22, 02:02 (2 d)
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blob
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21803848
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rLAMMPS lammps
fix_recenter.h
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/* ----------------------------------------------------------------------
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.
------------------------------------------------------------------------- */
#ifndef FIX_RECENTER_H
#define FIX_RECENTER_H
#include "fix.h"
namespace
LAMMPS_NS
{
class
FixRecenter
:
public
Fix
{
public:
FixRecenter
(
class
LAMMPS
*
,
int
,
char
**
);
int
setmask
();
void
init
();
void
initial_integrate
();
private:
int
group2bit
,
scaleflag
;
int
xflag
,
yflag
,
zflag
;
int
xinitflag
,
yinitflag
,
zinitflag
;
double
xcom
,
ycom
,
zcom
,
xinit
,
yinit
,
zinit
,
masstotal
;
};
}
#endif
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