log2txt.py
cf33c0e7fba4lammm-devel

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)