Re: [cclib-devel] adf parser

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

Can you upload to ccl...@gm... the problem log file you refer to
below, along with a line to say when it was fixed? I am currently putting
all of the log files onto the webspace (just to remind you all...these will
be publicly accessible), and will add to SVN a shell script to download any
new ones.


Commit by *atenderholt* :: r*343* /trunk/src/cclib/parser/adfparser.py:
 adfparser on Mo4mdt3-1_102.adfout: If scf doesn't converge "but result is
acceptable", the parser emits a warning and exits a loop; previously, the
parser got stuck in the loop skipping many attributes


On 23/09/06, Noel O'Boyle <bao...@gm...> wrote:
>
> Cool - when I get a chance I'll look into this. Maybe it's also a
> potential problem with the other SCF parsers.
>
> I think as a rule of thumb that all bug fixes should be included in the
> next release. Actually, it helps if you start the log message with "Bug fix"
> so it's quite clear which ones need to applied to the release branch. It's
> also useful when going through the log messages to create a changelog, as it
> makes it easy to separate new features from bug fixes and so on.
>
>  Looking at my own last few commits, it seems I don't even follow my own
> advice though :-)
>
>
> On 23/09/06, Adam Tenderholt < a-t...@st...> wrote:
> >
> > I just fixed a pretty critical (at least in my mind) bug in the ADF
> > parser. It would get stuck in a loop if the SCF didn't fully
> > converge, but gave acceptable results (according to text printed in
> > the logfile), causing numerous attributes to be skipped. I also added
> > a logger warning if EOF is reached while in that loop, which you can
> > remove if you think it is unnecessary.
> >
> > Hopefully this will make the 0.6 release.
> >
> > Adam
> >
> >
> >
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