Re: [cclib-devel] cclib 0.8 lock down

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

> I agree. Further refactoring can be done after the release, since  
> it really
> won't affect the way cclib is used and is aimed at making  
> developing easier
> in the future. If there is time, though, I would be happy to see  
> this go a
> bit further.

Ok, so we wait until after the release, unless Karol finds more time.  
As far as I know, there should only be minor changes for the methods.  
The things that come to mind are:

1. Pass ccData to constructor, instead of a parser
2. Remove any parser.parse() code.
3. ???

> I have code ready for a few types of electrostatic multipole analyses
> (including Stone's DMA), but I might not want to include this in  
> cclib before
> the release.

Ok.

I'll also upload some MP and TDDFT stuff for Orca in the next week or  
so.

Adam