cclib 0.6 has been tagged and uploaded. I've included that final
bugfix of yours relating to the SCF convergence. I got very confused
this morning as I didn't update my local tree, and ended up fixing the
same bug as you did, only to realise that it had already been done.
:-P
Anyway, I'll do the publicity tomorrow (cclib mailing lists,
freshmeat, pypi, gamess-uk forum, possibly CCL), but feel free to
update the download links on the wiki - it should be on all of the
sourceforge mirrors now.
Will this be the version that sets the computational chemistry world
alight? We'll soon find out...:-)
Noel
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