I think it would be unwise at this point to delay cclib 0.9 any more.
We could aim for a 0.91 by a certain date, if you want. However, feel
free to check into the trunk, but I'd appreciate if the log messages
are clearly marked as not being bug fixes.
Noel
2008/6/17 Adam Tenderholt <a-t...@st...>:
> Awesome.
>
> Are we now considering the cclib-0.9 branch feature frozen? I've been
> considering implementing a few helper scripts along the lines of ccget
> (names negotiable):
>
> 1) checkconv. Parse optimizations and print deviations from convergence (ala
> GaussSum) in the terminal window. Depends on gnuplot and gnuplot-py. I've
> been using it on clusters so that I don't have to copy the logfile to my
> computer just to see whether an optimization is stuck in some oscillation.
>
> 2) getcoords. Parse optimization and pull out coordinates (default last
> step) and save as an xyz file.
>
> 3) fragment_analysis: Convert from atomic basis to fragment basis,
> essentially the first few steps of CDA but more than two fragments can be
> used.
>
> Adam
>
>
> On Jun 16, 2008, at 11:41 PM, Noel O'Boyle wrote:
>
>> Hello all,
>>
>> It's been a while, but I've made a beta release of cclib 0.9. I'd be
>> hoping to get out the final release by the end of the month.
>>
>> I'd appreciate if you could test it out, update the Changelog as
>> appropriate, and update the documentation, particularly for changes
>> you've introduced yourself.
>>
>> I also note that the Front Page of the wiki should probably been
>> updated to have the literature reference, as well as Karol's name.
>>
>> Noel
>>
>> -------------------------------------------------------------------------
>> Check out the new SourceForge.net Marketplace.
>> It's the best place to buy or sell services for
>> just about anything Open Source.
>> http://sourceforge.net/services/buy/index.php
>> _______________________________________________
>> cclib-devel mailing list
>> ccl...@li...
>> https://lists.sourceforge.net/lists/listinfo/cclib-devel
>
>
|
