funcs.py
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	# Python function that implements a loop of short runs
	# calls back to LAMMPS via "lmp" instance
	# lammps() must be called with ptr=lmpptr for this to work

	def loop(N,cut0,thresh,lmpptr):
	print "LOOP ARGS",N,cut0,thresh,lmpptr
	from lammps import lammps
	lmp = lammps(ptr=lmpptr)
	natoms = lmp.get_natoms()

	for i in range(N):
	cut = cut0 + i*0.1

	lmp.set_variable("cut",cut) # set a variable in LAMMPS
	lmp.command("pair_style lj/cut ${cut}") # LAMMPS command
	#lmp.command("pair_style lj/cut %d" % cut) # LAMMPS command option

	lmp.command("pair_coeff * * 1.0 1.0") # ditto
	lmp.command("run 10") # ditto
	pe = lmp.extract_compute("thermo_pe",0,0) # extract total PE from LAMMPS
	print "PE",pe/natoms,thresh
	if pe/natoms < thresh: return