demo.py
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	#!/usr/bin/env python -i
	# preceeding line should have path for Python on your machine

	# demo.py
	# Purpose: illustrate use of many library interface commands
	# Syntax: demo.py
	# uses in.demo as LAMMPS input script

	import sys

	# parse command line

	argv = sys.argv
	if len(argv) != 1:
	print "Syntax: demo.py"
	sys.exit()

	from lammps import lammps
	lmp = lammps()

	# test out various library functions after running in.demo

	lmp.file("in.demo")

	print "\nPython output:"

	natoms = lmp.extract_global("natoms",0)
	mass = lmp.extract_atom("mass",2)
	x = lmp.extract_atom("x",3)
	print "Natoms, mass, x[0][0] coord =",natoms,mass[1],x[0][0]

	temp = lmp.extract_compute("thermo_temp",0,0)
	print "Temperature from compute =",temp

	eng = lmp.extract_variable("eng",None,0)
	print "Energy from equal-style variable =",eng

	vy = lmp.extract_variable("vy","all",1)
	print "Velocity component from atom-style variable =",vy[1]

	natoms = lmp.get_natoms()
	print "Natoms from get_natoms =",natoms

	xc = lmp.gather_atoms("x",1,3)
	print "Global coords from gather_atoms =",xc[0],xc[1],xc[31]

	xc[0] = xc[0] + 1.0
	lmp.scatter_atoms("x",1,3,xc)

	print "Changed x[0][0] via scatter_atoms =",x[0][0]