neb1.py
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	#!/usr/local/bin/python

	# combine multiple NEB dump files into 1 dump file
	# Syntax: neb1.py dfinal itype dfile1 dfile2 ...
	# dfinal = new combined dump file
	# itype = atoms of this type are added to each snapshot
	# dfile1, dfile2, ... = NEB output dump files from each replica

	# assumes all N input files have same # of snapshots
	# for each snapshot time:
	# all dfile1 atoms are added to dfinal
	# only atoms of itype in dfile2,...,dfileN are added to dfinal

	import sys,os
	path = os.environ["LAMMPS_PYTHON_TOOLS"]
	sys.path.append(path)
	from dump import dump

	if len(sys.argv) < 5:
	print "Syntax: neb1.py dfinal itype dfile1 dfile2 ..."
	sys.exit()

	dfinal = sys.argv[1]
	itype = int(sys.argv[2])
	files = sys.argv[3:]

	tstr = "$type == %d" % itype

	ntotal = 0
	d = []
	for file in files:
	one = dump(file)
	one.sort()
	if d:
	one.aselect.test(tstr)
	nnew = one.snaps[0].nselect
	idvec = range(ntotal+1,ntotal+nnew+1)
	one.setv("id",idvec)
	ntotal += one.snaps[0].nselect
	d.append(one)

	if os.path.exists(dfinal): os.remove(dfinal)

	times = d[0].time()
	for time in times:
	d[0].tselect.one(time)
	i = d[0].findtime(time)
	hold = d[0].snaps[i].nselect
	d[0].snaps[i].nselect = ntotal
	d[0].write(dfinal,1,1)
	d[0].snaps[i].nselec = hold
	for one in d[1:]:
	one.tselect.one(time)
	one.aselect.test(tstr)
	one.write(dfinal,0,1)