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dump2cfg.py
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Created
Tue, Jun 25, 17:51
Size
906 B
Mime Type
text/x-python
Expires
Thu, Jun 27, 17:51 (2 d)
Engine
blob
Format
Raw Data
Handle
18303091
Attached To
rLAMMPS lammps
dump2cfg.py
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#!/usr/bin/env python
# Script: dump2cfg.py
# Purpose: convert a LAMMPS dump file to CFG format
# Syntax: dump2cfg.py dumpfile Nid Ntype Nx Ny Nz cfgfile
# dumpfile = LAMMPS dump file in native LAMMPS format
# Nid,Ntype,Nx,Ny,Nz = columns #s for ID,type,x,y,z
# (usually 1,2,3,4,5)
# cfgfile = new CFG file
# Author: Steve Plimpton (Sandia), sjplimp at sandia.gov
import
sys
,
os
path
=
os
.
environ
[
"LAMMPS_PYTHON_TOOLS"
]
sys
.
path
.
append
(
path
)
from
dump
import
dump
from
cfg
import
cfg
if
len
(
sys
.
argv
)
!=
8
:
raise
StandardError
,
"Syntax: dump2cfg.py dumpfile Nid Ntype Nx Ny Nz cfgfile"
dumpfile
=
sys
.
argv
[
1
]
nid
=
int
(
sys
.
argv
[
2
])
ntype
=
int
(
sys
.
argv
[
3
])
nx
=
int
(
sys
.
argv
[
4
])
ny
=
int
(
sys
.
argv
[
5
])
nz
=
int
(
sys
.
argv
[
6
])
cfgfile
=
sys
.
argv
[
7
]
d
=
dump
(
dumpfile
)
d
.
map
(
nid
,
"id"
,
ntype
,
"type"
,
nx
,
"x"
,
ny
,
"y"
,
nz
,
"z"
)
c
=
cfg
(
d
)
c
.
one
(
cfgfile
)
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