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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 gmail.com
import sys,os
path = os.environ["LAMMPS_PYTHON_TOOLS"]
sys.path.insert(1,path)
from dump import dump
if len(sys.argv) != 4:
sys.exit("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)
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