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atom_molecular.h
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Created
Tue, Nov 12, 19:58
Size
1 KB
Mime Type
text/x-c
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Thu, Nov 14, 19:58 (1 d, 23 h)
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blob
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22293100
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rLAMMPS lammps
atom_molecular.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 ATOM_MOLECULAR_H
#define ATOM_MOLECULAR_H
#include "atom.h"
class
AtomMolecular
:
public
Atom
{
public:
AtomMolecular
(
int
,
char
**
);
~
AtomMolecular
()
{}
void
copy
(
int
,
int
);
void
pack_comm
(
int
,
int
*
,
double
*
,
int
*
);
void
unpack_comm
(
int
,
int
,
double
*
);
void
pack_reverse
(
int
,
int
,
double
*
);
void
unpack_reverse
(
int
,
int
*
,
double
*
);
void
pack_border
(
int
,
int
*
,
double
*
,
int
*
);
void
unpack_border
(
int
,
int
,
double
*
);
int
pack_exchange
(
int
,
double
*
);
int
unpack_exchange
(
double
*
);
};
#endif
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