cclib-svn

[cclib-svn] SF.net SVN: cclib: [338] branches/cclib-0.6

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

Revision: 338
          http://svn.sourceforge.net/cclib/?rev=338&view=rev
Author:   baoilleach
Date:     2006-09-14 12:04:01 -0700 (Thu, 14 Sep 2006)

Log Message:
-----------
Tidying up the code for the cclib 0.6 release. Removed Jaguar parser. Removed gbasis. Removed volume.py. Removed Jaguar data. All tests pass.

Modified Paths:
--------------
    branches/cclib-0.6/src/cclib/parser/gamessparser.py
    branches/cclib-0.6/src/cclib/parser/gamessukparser.py
    branches/cclib-0.6/src/cclib/parser/gaussianparser.py
    branches/cclib-0.6/src/cclib/parser/logfileparser.py
    branches/cclib-0.6/src/cclib/parser/utils.py
    branches/cclib-0.6/test/testGeoOpt.py
    branches/cclib-0.6/test/testSP.py
    branches/cclib-0.6/test/testSPun.py
    branches/cclib-0.6/test/testall.py

Removed Paths:
-------------
    branches/cclib-0.6/data/Jaguar/
    branches/cclib-0.6/src/cclib/method/volume.py
    branches/cclib-0.6/src/cclib/parser/jaguarparser.py
    branches/cclib-0.6/test/testBasis.py


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[cclib-svn] SF.net SVN: cclib: [361] branches/cclib-0.6

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

Revision: 361
          http://svn.sourceforge.net/cclib/?rev=361&view=rev
Author:   baoilleach
Date:     2006-10-04 00:08:19 -0700 (Wed, 04 Oct 2006)

Log Message:
-----------
Applying changes in the trunk from r337:360 to the cclib 0.6 release branch.

Modified Paths:
--------------
    branches/cclib-0.6/ANNOUNCE
    branches/cclib-0.6/CHANGELOG
    branches/cclib-0.6/INSTALL
    branches/cclib-0.6/README
    branches/cclib-0.6/THANKS
    branches/cclib-0.6/manifest.py
    branches/cclib-0.6/setup.py
    branches/cclib-0.6/src/cclib/__init__.py
    branches/cclib-0.6/src/cclib/method/opa.py
    branches/cclib-0.6/src/cclib/parser/__init__.py
    branches/cclib-0.6/src/cclib/parser/adfparser.py
    branches/cclib-0.6/src/cclib/parser/gaussianparser.py
    branches/cclib-0.6/src/cclib/parser/utils.py
    branches/cclib-0.6/src/scripts/ccget
    branches/cclib-0.6/test/regression.py
    branches/cclib-0.6/test/testGeoOpt.py
    branches/cclib-0.6/test/testSPun.py
    branches/cclib-0.6/test/testall.py

Added Paths:
-----------
    branches/cclib-0.6/data/ADF/basicADF2004.01/NH3.adfin
    branches/cclib-0.6/data/ADF/basicADF2004.01/NH3.adfout

Removed Paths:
-------------
    branches/cclib-0.6/MANIFEST


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[cclib-svn] SF.net SVN: cclib: [364] branches/cclib-0.6

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

Revision: 364
          http://svn.sourceforge.net/cclib/?rev=364&view=rev
Author:   baoilleach
Date:     2006-10-04 01:38:21 -0700 (Wed, 04 Oct 2006)

Log Message:
-----------
Applying changes in the trunk from r361:363

Modified Paths:
--------------
    branches/cclib-0.6/ANNOUNCE
    branches/cclib-0.6/THANKS
    branches/cclib-0.6/setup.py
    branches/cclib-0.6/src/cclib/__init__.py


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[cclib-svn] SF.net SVN: cclib: [388] branches/cclib-0.6

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

Revision: 388
          http://svn.sourceforge.net/cclib/?rev=388&view=rev
Author:   baoilleach
Date:     2006-10-25 09:03:11 -0700 (Wed, 25 Oct 2006)

Log Message:
-----------
Applied changes from r364:HEAD to cclib-0.6 branch. Removed references to coreelectrons. May need to create an empty regressionfiles.txt to allow regression.py to work. Need to update changelog.

Modified Paths:
--------------
    branches/cclib-0.6/THANKS
    branches/cclib-0.6/src/cclib/parser/adfparser.py
    branches/cclib-0.6/src/cclib/parser/gaussianparser.py
    branches/cclib-0.6/src/scripts/ccget
    branches/cclib-0.6/test/regression.py


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[cclib-svn] SF.net SVN: cclib: [392] branches/cclib-0.6

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

Revision: 392
          http://svn.sourceforge.net/cclib/?rev=392&view=rev
Author:   baoilleach
Date:     2006-10-26 02:24:39 -0700 (Thu, 26 Oct 2006)

Log Message:
-----------
Applying changes to the trunk since revision 387 to the branch. Also, prevented regression.py from trying to access regressionfiles.txt (will allow this in next version).

Revision Links:
--------------
    http://svn.sourceforge.net/cclib/?rev=387&view=rev

Modified Paths:
--------------
    branches/cclib-0.6/ANNOUNCE
    branches/cclib-0.6/CHANGELOG
    branches/cclib-0.6/README
    branches/cclib-0.6/THANKS
    branches/cclib-0.6/setup.py
    branches/cclib-0.6/src/cclib/__init__.py
    branches/cclib-0.6/src/cclib/parser/adfparser.py
    branches/cclib-0.6/test/regression.py


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[cclib-svn] SF.net SVN: cclib: [417] branches/cclib-0.6

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

Revision: 417
          http://svn.sourceforge.net/cclib/?rev=417&view=rev
Author:   baoilleach
Date:     2006-11-21 05:45:39 -0800 (Tue, 21 Nov 2006)

Log Message:
-----------
Bug fixes: Silly errors fixed. References to molproparser and jaguarparser removed.

Modified Paths:
--------------
    branches/cclib-0.6/src/cclib/parser/__init__.py
    branches/cclib-0.6/test/regression.py


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[cclib-svn] SF.net SVN: cclib: [418] branches/cclib-0.6

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

Revision: 418
          http://svn.sourceforge.net/cclib/?rev=418&view=rev
Author:   baoilleach
Date:     2006-11-21 06:01:30 -0800 (Tue, 21 Nov 2006)

Log Message:
-----------
Merged bugfixes r400 and r407 to cclib-0.6.x.

Modified Paths:
--------------
    branches/cclib-0.6/src/cclib/parser/gaussianparser.py
    branches/cclib-0.6/test/regression.py


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[cclib-svn] SF.net SVN: cclib: [420] branches/cclib-0.6

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

Revision: 420
          http://svn.sourceforge.net/cclib/?rev=420&view=rev
Author:   baoilleach
Date:     2006-11-22 01:31:29 -0800 (Wed, 22 Nov 2006)

Log Message:
-----------
Merging r419 to branch (release prep for cclib-0.6.1).

Modified Paths:
--------------
    branches/cclib-0.6/ANNOUNCE
    branches/cclib-0.6/CHANGELOG
    branches/cclib-0.6/THANKS
    branches/cclib-0.6/setup.py
    branches/cclib-0.6/src/cclib/__init__.py


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