Page Menu
Home
c4science
Search
Configure Global Search
Log In
Files
F86596090
dump2xyz.py
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
Mon, Oct 7, 11:01
Size
906 B
Mime Type
text/x-python
Expires
Wed, Oct 9, 11:01 (2 d)
Engine
blob
Format
Raw Data
Handle
21429701
Attached To
rLAMMPS lammps
dump2xyz.py
View Options
#!/usr/bin/env python
# Script: dump2xyz.py
# Purpose: convert a LAMMPS dump file to XYZ format
# Syntax: dump2xyz.py dumpfile Nid Ntype Nx Ny Nz xyzfile
# 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)
# xyzfile = new XYZ 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
xyz
import
xyz
if
len
(
sys
.
argv
)
!=
8
:
raise
StandardError
,
"Syntax: dump2xyz.py dumpfile Nid Ntype Nx Ny Nz xyzfile"
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
])
xyzfile
=
sys
.
argv
[
7
]
d
=
dump
(
dumpfile
)
d
.
map
(
nid
,
"id"
,
ntype
,
"type"
,
nx
,
"x"
,
ny
,
"y"
,
nz
,
"z"
)
x
=
xyz
(
d
)
x
.
one
(
xyzfile
)
Event Timeline
Log In to Comment