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fix_gyration.h
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Created
Sat, Aug 24, 23:51
Size
956 B
Mime Type
text/x-c
Expires
Mon, Aug 26, 23:51 (2 d)
Engine
blob
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Raw Data
Handle
20152609
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rLAMMPS lammps
fix_gyration.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_GYRATION_H
#define FIX_GYRATION_H
#include "stdio.h"
#include "fix.h"
class
FixGyration
:
public
Fix
{
public:
FixGyration
(
int
,
char
**
);
~
FixGyration
();
int
setmask
();
void
init
();
void
setup
();
void
end_of_step
();
private:
int
me
,
first
;
FILE
*
fp
;
double
masstotal
;
};
#endif
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