dumpsort.py
4a1807d39739lammm-master

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)