cclib-svn

[cclib-svn] SF.net SVN: cclib: [757] branches/cclib-0.8

[<bao...@us...>]

Revision: 757
          http://cclib.svn.sourceforge.net/cclib/?rev=757&view=rev
Author:   baoilleach
Date:     2007-09-21 09:18:43 -0700 (Fri, 21 Sep 2007)

Log Message:
-----------
Sorry Karol, I've gone back to using regular disutils as it works for me, and I can't figure out how to make setuptools select the correct files.

Modified Paths:
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    branches/cclib-0.8/setup.py

Removed Paths:
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    branches/cclib-0.8/MANIFEST.in


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[cclib-svn] SF.net SVN: cclib: [758] branches/cclib-0.8

[<bao...@us...>]

Revision: 758
          http://cclib.svn.sourceforge.net/cclib/?rev=758&view=rev
Author:   baoilleach
Date:     2007-09-21 09:39:55 -0700 (Fri, 21 Sep 2007)

Log Message:
-----------
Updates for release.

Modified Paths:
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    branches/cclib-0.8/CHANGELOG
    branches/cclib-0.8/THANKS


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[cclib-svn] SF.net SVN: cclib: [767] branches/cclib-0.8

[<bao...@us...>]

Revision: 767
          http://cclib.svn.sourceforge.net/cclib/?rev=767&view=rev
Author:   baoilleach
Date:     2007-10-13 03:41:38 -0700 (Sat, 13 Oct 2007)

Log Message:
-----------
Merged revisions 755-758,763,765-766 via svnmerge from 
https://cclib.svn.sourceforge.net/svnroot/cclib/trunk

........
  r763 | langner | 2007-10-11 23:06:40 +0100 (Thu, 11 Oct 2007) | 1 line
  
  Update ANNOUNCE and CHANGELOG with information from the new release (0.8b).
........
  r765 | baoilleach | 2007-10-13 11:34:42 +0100 (Sat, 13 Oct 2007) | 1 line
  
  Edited changelog: Removed reference to setuptools, which unfortunately hasn't had it to release. Removed reference to parser refactoring, which although an important change, isn't a feature that affects the users.
........

Modified Paths:
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    branches/cclib-0.8/ANNOUNCE
    branches/cclib-0.8/CHANGELOG

Property Changed:
----------------
    branches/cclib-0.8/


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[cclib-svn] SF.net SVN: cclib: [773] branches/cclib-0.8

[<ate...@us...>]

Revision: 773
          http://cclib.svn.sourceforge.net/cclib/?rev=773&view=rev
Author:   atenderholt
Date:     2007-10-23 11:32:32 -0700 (Tue, 23 Oct 2007)

Log Message:
-----------
Merged revisions 771 via svnmerge from 
https://cclib.svn.sourceforge.net/svnroot/cclib/trunk

........
  r771 | atenderholt | 2007-10-22 11:29:00 -0700 (Mon, 22 Oct 2007) | 2 lines
  
  Updated CDA script, which is install along with ccget as part of cclib, to handle new ccData objects.
........

Modified Paths:
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    branches/cclib-0.8/src/scripts/cda

Property Changed:
----------------
    branches/cclib-0.8/


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[cclib-svn] SF.net SVN: cclib: [775] branches/cclib-0.8

[<ate...@us...>]

Revision: 775
          http://cclib.svn.sourceforge.net/cclib/?rev=775&view=rev
Author:   atenderholt
Date:     2007-10-28 15:35:37 -0700 (Sun, 28 Oct 2007)

Log Message:
-----------
Merged revisions 774 via svnmerge from 
https://cclib.svn.sf.net/svnroot/cclib/trunk

........
  r774 | atenderholt | 2007-10-24 10:16:10 -0700 (Wed, 24 Oct 2007) | 2 lines
  
  CDA method and script: Added residuals term (contribution of lumos from Fragments A and B), as requested by a few users of PyMOlyze
........

Modified Paths:
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    branches/cclib-0.8/src/cclib/method/cda.py
    branches/cclib-0.8/src/scripts/cda

Property Changed:
----------------
    branches/cclib-0.8/


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[cclib-svn] SF.net SVN: cclib: [777] branches/cclib-0.8

[<bao...@us...>]

Revision: 777
          http://cclib.svn.sourceforge.net/cclib/?rev=777&view=rev
Author:   baoilleach
Date:     2007-10-29 02:37:21 -0700 (Mon, 29 Oct 2007)

Log Message:
-----------
Merged revisions 776 via svnmerge from 
https://cclib.svn.sourceforge.net/svnroot/cclib/trunk

........
  r776 | baoilleach | 2007-10-29 09:33:09 +0000 (Mon, 29 Oct 2007) | 1 line
  
  Bumped up version to 0.8
........

Modified Paths:
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    branches/cclib-0.8/ANNOUNCE
    branches/cclib-0.8/setup.py
    branches/cclib-0.8/src/cclib/__init__.py

Property Changed:
----------------
    branches/cclib-0.8/


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[cclib-svn] SF.net SVN: cclib: [783] branches/cclib-0.8

[<bao...@us...>]

Revision: 783
          http://cclib.svn.sourceforge.net/cclib/?rev=783&view=rev
Author:   baoilleach
Date:     2007-10-31 06:12:43 -0700 (Wed, 31 Oct 2007)

Log Message:
-----------
Fixed bug parsing C_bigmult.log. Added regression test.

Modified Paths:
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    branches/cclib-0.8/data/regressionfiles.txt
    branches/cclib-0.8/src/cclib/parser/gaussianparser.py
    branches/cclib-0.8/test/regression.py


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