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atom_vec_colloid.h
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Thu, Aug 8, 18:28
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1 KB
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text/x-c
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Sat, Aug 10, 18:28 (2 d)
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blob
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19732077
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rLAMMPS lammps
atom_vec_colloid.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 ATOM_VEC_COLLOID_H
#define ATOM_VEC_COLLOID_H
#include "atom_vec.h"
namespace
LAMMPS_NS
{
class
AtomVecColloid
:
public
AtomVec
{
public:
AtomVecColloid
(
class
LAMMPS
*
,
int
,
char
**
);
virtual
~
AtomVecColloid
()
{}
void
grow
(
int
);
void
copy
(
int
,
int
);
int
pack_comm
(
int
,
int
*
,
double
*
,
int
,
int
*
);
int
pack_comm_one
(
int
,
double
*
);
void
unpack_comm
(
int
,
int
,
double
*
);
int
unpack_comm_one
(
int
,
double
*
);
int
pack_reverse
(
int
,
int
,
double
*
);
int
pack_reverse_one
(
int
,
double
*
);
void
unpack_reverse
(
int
,
int
*
,
double
*
);
int
unpack_reverse_one
(
int
,
double
*
);
int
pack_border
(
int
,
int
*
,
double
*
,
int
,
int
*
);
int
pack_border_one
(
int
,
double
*
);
void
unpack_border
(
int
,
int
,
double
*
);
int
unpack_border_one
(
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
**
);
void
data_vel
(
int
,
char
**
);
int
data_vel_hybrid
(
int
,
char
**
);
double
memory_usage
();
private:
int
*
tag
,
*
type
,
*
mask
,
*
image
;
double
**
x
,
**
v
,
**
f
;
double
**
omega
,
**
torque
;
};
}
#endif
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