[cclib-devel] jaguar files

[Adam T. <a-t...@st...>]

I was thinking back to when I parsed Jaguar files for PyMOlyze, and I  
remembered that there are cases when the number of alpha MOs is  
different than beta MOs because it's possible to specify how many  
virtual orbitals to print (ipvert, i think). I don't remember which  
is the larger one, but it could mean that one of the mocoefficient  
matrices have entries of zereos. If this isn't a big deal (I can't  
think of a reason), then we're ok. Otherwise, we might have to switch  
to a list of Numeric arrays.

Adam