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dumpsort.py
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Created
Mon, Jul 1, 11:24
Size
695 B
Mime Type
text/x-python
Expires
Wed, Jul 3, 11:24 (2 d)
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blob
Format
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Handle
18297362
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rLAMMPS lammps
dumpsort.py
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#!/usr/bin/env python
# Script: dumpsort.py
# Purpose: sort the snapshots in a LAMMPS dump file by atom ID
# Syntax: dumpsort.py oldfile N newfile
# oldfile = old LAMMPS dump file in native LAMMPS format
# N = column # for atom ID (usually 1)
# newfile = new sorted LAMMPS dump 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
if
len
(
sys
.
argv
)
!=
4
:
raise
StandardError
,
"Syntax: dumpsort.py oldfile N newfile"
oldfile
=
sys
.
argv
[
1
]
ncolumn
=
int
(
sys
.
argv
[
2
])
newfile
=
sys
.
argv
[
3
]
d
=
dump
(
oldfile
)
d
.
map
(
ncolumn
,
"id"
)
d
.
sort
()
d
.
write
(
newfile
)
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