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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 gmail.com
from __future__ import print_function
import sys,os,argparse
path = os.environ["LAMMPS_PYTHON_TOOLS"]
sys.path.insert(1,path)
from log import log
# set up arg parser
parser = argparse.ArgumentParser()
parser.add_argument('lammpslog', help='name of the lammps log file')
parser.add_argument('outname', help='name of the file to be written')
parser.add_argument('cols', nargs='*', help='any number of column names, optional')
parser.add_argument('-n', action='store_true', help='save column names as the header of the file')
args = parser.parse_args()
logfile = args.lammpslog
datafile = args.outname
columns = args.cols
writenames = args.n
lg = log(logfile)
if columns == []:
lg.write(datafile, writenames)
else:
str = "lg.write(datafile, %r" % writenames
for word in columns: str += ',"' + word + '"'
str += ')'
eval(str)
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