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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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