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atom_vec_peri.h
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Created
Sun, Jun 9, 21:18
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1 KB
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text/x-c
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Tue, Jun 11, 21:18 (2 d)
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blob
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18205963
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rLAMMPS lammps
atom_vec_peri.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 ATOM_CLASS
AtomStyle
(
peri
,
AtomVecPeri
)
#else
#ifndef LMP_ATOM_VEC_PERI_H
#define LMP_ATOM_VEC_PERI_H
#include "atom_vec.h"
namespace
LAMMPS_NS
{
class
AtomVecPeri
:
public
AtomVec
{
public:
AtomVecPeri
(
class
LAMMPS
*
,
int
,
char
**
);
void
grow
(
int
);
void
grow_reset
();
void
copy
(
int
,
int
,
int
);
int
pack_comm
(
int
,
int
*
,
double
*
,
int
,
int
*
);
int
pack_comm_vel
(
int
,
int
*
,
double
*
,
int
,
int
*
);
int
pack_comm_hybrid
(
int
,
int
*
,
double
*
);
void
unpack_comm
(
int
,
int
,
double
*
);
void
unpack_comm_vel
(
int
,
int
,
double
*
);
int
unpack_comm_hybrid
(
int
,
int
,
double
*
);
int
pack_reverse
(
int
,
int
,
double
*
);
void
unpack_reverse
(
int
,
int
*
,
double
*
);
int
pack_border
(
int
,
int
*
,
double
*
,
int
,
int
*
);
int
pack_border_vel
(
int
,
int
*
,
double
*
,
int
,
int
*
);
int
pack_border_hybrid
(
int
,
int
*
,
double
*
);
void
unpack_border
(
int
,
int
,
double
*
);
void
unpack_border_vel
(
int
,
int
,
double
*
);
int
unpack_border_hybrid
(
int
,
int
,
double
*
);
int
pack_exchange
(
int
,
double
*
);
int
unpack_exchange
(
double
*
);
int
size_restart
();
int
pack_restart
(
int
,
double
*
);
int
unpack_restart
(
double
*
);
void
create_atom
(
int
,
double
*
);
void
data_atom
(
double
*
,
int
,
char
**
);
int
data_atom_hybrid
(
int
,
char
**
);
bigint
memory_usage
();
private:
int
*
tag
,
*
type
,
*
mask
,
*
image
;
double
**
x
,
**
v
,
**
f
;
double
*
vfrac
,
*
density
,
*
rmass
,
*
s0
,
**
x0
;
};
}
#endif
#endif
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