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From: Noel O'B. <bao...@gm...> - 2006-09-15 16:48:38
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I'm ready to make a new release of cclib, version 0.6, let's say. This
weekend would be a good time for me to do it, so if anyone has any comments,
now's the time.
This will be the changelog:
Changes since cclib-0.5:
Features
* New parser: GAMESS-UK parser
* API addition: the .clean() method
The .clean() method of a parser clears all of the parsed
attributes. This is useful if you need to reparse during
the course of a calculation.
* Function rename: guesstype() has been renamed to ccopen()
Bugfixes
* ccget: Passing multiple filenames now works on Windows too
* ADF parser: The following bugs have been fixed
Problem with parsing SFOs in certain log files
Handling of molecules with orbitals of E symmetry
Couldn't find the HOMO in log files from new versions of ADF
* Gaussian parser: The following bugs have been fixed
SCF values was not extracting the dEnergy value
Also I need to add something about the new Qt Progress, if this is ready to
be included in the distribution (Adam?).
Regards,
Noel
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