Re: [cclib-devel] nmo proposal

[Noel O'B. <bao...@gm...>]

> I've made the changes. If the file is missing any MO info, it fills
> moenergies with 99999 and mosyms with 'A'. It now passes the
> regression test, although I haven't fully checked whether mocoeffs
> are accurate. Let me know if there is anything else we should do.

Great. I'll start the merge. Might be good to double check the user
docs on the wiki to see whether there's anything that needs updating.
I think the only API addition is the .clean() method. Also, you want
want to add some names to THANKS.

Just a note to say that I've been playing about with .zip, .bz2, .gz
support for output files on a branch that I'll merge *after* the
release. It seems to be working without any problems and all using
standard Python libraries, but we can verify this later.

Noel