Page Menu
Home
c4science
Search
Configure Global Search
Log In
Files
F80589788
compute_plasticity_atom.cpp
No One
Temporary
Actions
Download File
Edit File
Delete File
View Transforms
Subscribe
Mute Notifications
Award Token
Subscribers
None
File Metadata
Details
File Info
Storage
Attached
Created
Sun, Sep 1, 13:25
Size
3 KB
Mime Type
text/x-c
Expires
Tue, Sep 3, 13:25 (2 d)
Engine
blob
Format
Raw Data
Handle
20130541
Attached To
rLAMMPS lammps
compute_plasticity_atom.cpp
View Options
/* ----------------------------------------------------------------------
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.
------------------------------------------------------------------------- */
/* ----------------------------------------------------------------------
Contributing author: Rezwanur Rahman, John Foster (UTSA)
------------------------------------------------------------------------- */
#include "string.h"
#include "compute_plasticity_atom.h"
#include "atom.h"
#include "update.h"
#include "modify.h"
#include "comm.h"
#include "force.h"
#include "pair_peri_pmb.h"
#include "fix_peri_neigh.h"
#include "memory.h"
#include "error.h"
using
namespace
LAMMPS_NS
;
/* ---------------------------------------------------------------------- */
ComputePlasticityAtom
::
ComputePlasticityAtom
(
LAMMPS
*
lmp
,
int
narg
,
char
**
arg
)
:
Compute
(
lmp
,
narg
,
arg
)
{
if
(
narg
!=
3
)
error
->
all
(
FLERR
,
"Illegal compute plasticity/atom command"
);
if
(
!
force
->
pair_match
(
"peri/eps"
,
1
))
error
->
all
(
FLERR
,
"Compute plasticity/atom cannot be used "
"with this pair style"
);
peratom_flag
=
1
;
size_peratom_cols
=
0
;
nmax
=
0
;
plasticity
=
NULL
;
}
/* ---------------------------------------------------------------------- */
ComputePlasticityAtom
::~
ComputePlasticityAtom
()
{
memory
->
destroy
(
plasticity
);
}
/* ---------------------------------------------------------------------- */
void
ComputePlasticityAtom
::
init
()
{
int
count
=
0
;
for
(
int
i
=
0
;
i
<
modify
->
ncompute
;
i
++
)
if
(
strcmp
(
modify
->
compute
[
i
]
->
style
,
"plasticity/peri"
)
==
0
)
count
++
;
if
(
count
>
1
&&
comm
->
me
==
0
)
error
->
warning
(
FLERR
,
"More than one compute plasticity/atom"
);
// find associated PERI_NEIGH fix that must exist
ifix_peri
=
-
1
;
for
(
int
i
=
0
;
i
<
modify
->
nfix
;
i
++
)
if
(
strcmp
(
modify
->
fix
[
i
]
->
style
,
"PERI_NEIGH"
)
==
0
)
ifix_peri
=
i
;
if
(
ifix_peri
==
-
1
)
error
->
all
(
FLERR
,
"Compute plasticity/atom requires Peridynamic pair style"
);
}
/* ---------------------------------------------------------------------- */
void
ComputePlasticityAtom
::
compute_peratom
()
{
invoked_peratom
=
update
->
ntimestep
;
// grow damage array if necessary
if
(
atom
->
nlocal
>
nmax
)
{
memory
->
destroy
(
plasticity
);
nmax
=
atom
->
nmax
;
memory
->
create
(
plasticity
,
nmax
,
"plasticity/atom:plasticity"
);
vector_atom
=
plasticity
;
}
// extract plasticity for each atom in group
double
*
lambdaValue
=
((
FixPeriNeigh
*
)
modify
->
fix
[
ifix_peri
])
->
lambdaValue
;
int
*
mask
=
atom
->
mask
;
int
nlocal
=
atom
->
nlocal
;
for
(
int
i
=
0
;
i
<
nlocal
;
i
++
)
if
(
mask
[
i
]
&
groupbit
)
plasticity
[
i
]
=
lambdaValue
[
i
];
}
/* ----------------------------------------------------------------------
memory usage of local atom-based array
------------------------------------------------------------------------- */
double
ComputePlasticityAtom
::
memory_usage
()
{
double
bytes
=
nmax
*
sizeof
(
double
);
return
bytes
;
}
Event Timeline
Log In to Comment