Re: [cclib-devel] cclib 0.8 lock down

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

On 31/07/07, Adam Tenderholt <a-t...@st...> wrote:
> I agree, but we need to discuss a few things:
>
> ccData: are we done with this, or are we going to change the way the
> various methods work?
I think that we won't refactor any more at this stage. We'll just make
sure it all currently works. The methods will have to be changed, but
not that much right? If we fix/change one, we'll have an idea what the
issues are.

> methods: are we going to try to add any new ones?
Well, this is the question. It depends on whether we have some already
decent code around for some method.

> parsers: what must be done before a parser is considered finished?
> for instance, the ORCA parser does everything i need for pymolyze,
> but it's missing the MP, TDDFT, and SCF things.
Would it be possible for you to create some test files for MP and
TDDFT? I have an incentive (i.e. GaussSum) to get TDDFT and SCF
working...

> Adam
>
>
> On Jul 31, 2007, at 7:15 AM, Noel O'Boyle wrote:
>
> > Dear devs,
> >
> > In the next few weeks let's focus on getting cclib 0.8 out the door.
> > That is, finalising parsers, getting our methods back on-line and bug
> > fixes. As a provisional date, let's say release end of Sept.
> >
> > What do you think?
> >
> > Noel
> >
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