Re: [cclib-devel] New release of cclib

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

> You're right that they're perhaps not ready for release yet, hence  
> "possible". I'll have to do some more work on them before that. We  
> should also look into the possibility of calculating the  
> exponentials ourselves in C or something, but it should be possible  
> to switch to C from PyQuante, if and when.
>
> gbasis works reasonably well. At the moment, it does not pick up on  
> the use of 5D orbitals instead of 6D (or 7F instead of 10F), though.
>
> If we ignore the "Possibles", we can get out a release of cclib  
> right away. And concentrate on those, plus any additional parsers/ 
> methods for the following release.
>
> What you do think?

I think it's ultimately your call since you're most familiar with the  
changes since the 0.5 release.

Also, it may be helpful for you to update the TODO section of the  
wiki so that the rest of us know where we should concentrate our  
efforts.

Adam