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imbalance_store.cpp
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Created
Fri, Aug 30, 04:59
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Sun, Sep 1, 04:59 (2 d)
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rLAMMPS lammps
imbalance_store.cpp
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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.
------------------------------------------------------------------------- */
#include <string.h>
#include "imbalance_store.h"
#include "atom.h"
#include "input.h"
#include "error.h"
using
namespace
LAMMPS_NS
;
/* -------------------------------------------------------------------- */
ImbalanceStore
::
ImbalanceStore
(
LAMMPS
*
lmp
)
:
Imbalance
(
lmp
),
name
(
0
)
{}
/* -------------------------------------------------------------------- */
ImbalanceStore
::~
ImbalanceStore
()
{
delete
[]
name
;
}
/* -------------------------------------------------------------------- */
int
ImbalanceStore
::
options
(
int
narg
,
char
**
arg
)
{
if
(
narg
<
1
)
error
->
all
(
FLERR
,
"Illegal balance weight command"
);
int
len
=
strlen
(
arg
[
0
])
+
1
;
name
=
new
char
[
len
];
memcpy
(
name
,
arg
[
0
],
len
);
return
1
;
}
/* -------------------------------------------------------------------- */
void
ImbalanceStore
::
compute
(
double
*
weight
)
{
int
dflag
=
0
;
int
idx
=
atom
->
find_custom
(
name
,
dflag
);
// property does not exist
if
(
idx
<
0
||
dflag
!=
1
)
return
;
double
*
prop
=
atom
->
dvector
[
idx
];
const
int
nlocal
=
atom
->
nlocal
;
for
(
int
i
=
0
;
i
<
nlocal
;
++
i
)
prop
[
i
]
=
weight
[
i
];
}
/* -------------------------------------------------------------------- */
void
ImbalanceStore
::
info
(
FILE
*
fp
)
{
fprintf
(
fp
,
" storing weight in atom property d_%s
\n
"
,
name
);
}
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