dump2xyz.py
0553f4af2b94lammm-master-deprecated

dump2xyz.py
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			#!/usr/bin/env python

			# Script: dump2xyz.py
			# Purpose: convert a LAMMPS dump file to XYZ format
			# Syntax: dump2xyz.py dumpfile Nid Ntype Nx Ny Nz xyzfile
			# dumpfile = LAMMPS dump file in native LAMMPS format
			# Nid,Ntype,Nx,Ny,Nz = columns #s for ID,type,x,y,z
			# (usually 1,2,3,4,5)
			# xyzfile = new XYZ 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
			from xyz import xyz

			if len(sys.argv) != 8:
			raise StandardError, "Syntax: dump2xyz.py dumpfile Nid Ntype Nx Ny Nz xyzfile"

			dumpfile = sys.argv[1]
			nid = int(sys.argv[2])
			ntype = int(sys.argv[3])
			nx = int(sys.argv[4])
			ny = int(sys.argv[5])
			nz = int(sys.argv[6])
			xyzfile = sys.argv[7]

			d = dump(dumpfile)
			d.map(nid,"id",ntype,"type",nx,"x",ny,"y",nz,"z")
			x = xyz(d)
			x.one(xyzfile)