[cclib-devel] API change

[Dr N. O'B. <no...@ca...>]

Hello Adam,

I've been busy getting GAMESS-UK into shape. There haven't really been any 
difficulties, although it seems that GAMESS UK doesn't want to print out 
all of the mocoeffs of the virtual orbitals (it just does the first 10 or 
so)...I'll see if I can ask the developers about this.

I've also been trying to get GaussSum to use cclib. I'm getting there, but 
I realise I need to add a .clean() method to the superclass of the parsers, 
which removes all of the calculated attributes. The reason is that I need 
to allow users to reparse their log files as a calculation progresses, and 
the easiest (and cleanest) way to do this seems to be to wipe the parser 
clean and reparse.

Regards,
  Noel