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fix_nve_tri.h
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Created
Wed, Nov 20, 00:06
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1 KB
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text/x-c
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Fri, Nov 22, 00:06 (2 d)
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blob
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22432699
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rLAMMPS lammps
fix_nve_tri.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.
------------------------------------------------------------------------- */
#ifdef FIX_CLASS
FixStyle
(
nve
/
tri
,
FixNVETri
)
#else
#ifndef LMP_FIX_NVE_TRI_H
#define LMP_FIX_NVE_TRI_H
#include "fix_nve.h"
namespace
LAMMPS_NS
{
class
FixNVETri
:
public
FixNVE
{
public:
FixNVETri
(
class
LAMMPS
*
,
int
,
char
**
);
~
FixNVETri
()
{}
int
setmask
();
void
init
();
void
initial_integrate
(
int
);
void
final_integrate
();
private:
double
dtq
;
class
AtomVecTri
*
avec
;
};
}
#endif
#endif
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