Re: [cclib-devel] methods

[Noel O'B. <no...@ca...>]

On Mon, 2006-05-22 at 18:35 -0700, Adam Tenderholt wrote:
> I've committed methods for overlap population and mayer's bond order  
> analyses. Of the (little) testing I've done against known results,  
> these methods produce the correct answers. I've also tested MPA,  
> CSPA, and the density matrix. I'm a little hesitant to say release  
> cclib 0.5 without further testing, which I hope to complete by  
> Wednesday. Feel free to help out if you have time.

I'll add some unittests for some general things.

>  Also, there is a  
> fair amount of code duplication, which I propose not cleaning up  
> until after the release.

That sounds fine - I can try and help move things into Numeric (cf. your
SVN log comment regarding OPA) at that stage too.

> Almost there.... :o)
Cool.

Regards,
 Noel