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log2txt.py
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Created
Sat, Nov 2, 17:01
Size
944 B
Mime Type
text/x-python
Expires
Mon, Nov 4, 17:01 (2 d)
Engine
blob
Format
Raw Data
Handle
21254067
Attached To
rLAMMPS lammps
log2txt.py
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#!/usr/bin/env python
# Script: log2txt.py
# Purpose: extract thermo info from LAMMPS log file
# create a text file of numbers in columns, suitable for plotting
# Syntax: log2txt.py log.lammps data.txt X Y ...
# log.lammps = LAMMPS log file
# data.txt = text file to create
# X Y ... = columns to include (optional), X,Y are thermo keywords
# if no columns listed, all columns are included
# Author: Steve Plimpton (Sandia), sjplimp at sandia.gov
import
sys
,
os
path
=
os
.
environ
[
"LAMMPS_PYTHON_TOOLS"
]
sys
.
path
.
append
(
path
)
from
log
import
log
if
len
(
sys
.
argv
)
<
3
:
raise
StandardError
,
"Syntax: log2txt.py log.lammps data.txt X Y ..."
logfile
=
sys
.
argv
[
1
]
datafile
=
sys
.
argv
[
2
]
columns
=
sys
.
argv
[
3
:]
lg
=
log
(
logfile
)
if
columns
==
[]:
lg
.
write
(
datafile
)
else
:
str
=
"lg.write(datafile,"
for
word
in
columns
:
str
+=
'"'
+
word
+
'",'
str
=
str
[:
-
1
]
+
')'
eval
(
str
)
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