Re: [cclib-devel] New release of cclib

[Noel O'B. <bao...@gm...>]

Just to let you know that I'm awaiting a reply to the question on big log
files on SVN and in the bug tracker from the sourceforge team.

Also, I've been meaning to update the developer's wiki pages for a while, so
I've started that. Afraid that there's no new information there yet. I've
separated "Parsed data" into that for the released cclib (linked from the
Main page) and that for the development cclib (there's a link to this from
the Development page). I want to expand on the tests section a bit, as well
as do as you suggest and update the "Things to Do".

Noel

On 13/09/06, Adam Tenderholt <a-t...@st...> wrote:
>
> > 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
>
>
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