cclib-svn

[cclib-svn] SF.net SVN: cclib: [313] trunk/test/testSPun.py

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

Revision: 313
Author:   baoilleach
Date:     2006-08-22 01:34:55 -0700 (Tue, 22 Aug 2006)
ViewCVS:  http://svn.sourceforge.net/cclib/?rev=313&view=rev

Log Message:
-----------
Tests: GAMESS UK SP unrestricted doesn't have all of the molecular orbitals, so made the test easier.

Modified Paths:
--------------
    trunk/test/testSPun.py

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[cclib-svn] SF.net SVN: cclib: [314] trunk/test/testSPun.py

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

Revision: 314
Author:   baoilleach
Date:     2006-08-22 01:40:27 -0700 (Tue, 22 Aug 2006)
ViewCVS:  http://svn.sourceforge.net/cclib/?rev=314&view=rev

Log Message:
-----------
Tests typo: Corrected some typos in the docstrings of the tests.

Modified Paths:
--------------
    trunk/test/testSPun.py

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[cclib-svn] SF.net SVN: cclib: [316] trunk/test/testSPun.py

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

Revision: 316
Author:   baoilleach
Date:     2006-08-22 01:50:22 -0700 (Tue, 22 Aug 2006)
ViewCVS:  http://svn.sourceforge.net/cclib/?rev=316&view=rev

Log Message:
-----------
Tests: Added two more tests to testSPun for moenergies and mosyms.

Modified Paths:
--------------
    trunk/test/testSPun.py

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[cclib-svn] SF.net SVN: cclib: [327] trunk/test/testSPun.py

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

Revision: 327
Author:   baoilleach
Date:     2006-08-28 08:50:31 -0700 (Mon, 28 Aug 2006)
ViewCVS:  http://svn.sourceforge.net/cclib/?rev=327&view=rev

Log Message:
-----------
Test: Updated the testSPun to use the new Gaussian03 data file, which contains mosyms.

Modified Paths:
--------------
    trunk/test/testSPun.py

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[cclib-svn] SF.net SVN: cclib: [341] trunk/test/testSPun.py

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

Revision: 341
          http://svn.sourceforge.net/cclib/?rev=341&view=rev
Author:   atenderholt
Date:     2006-09-20 09:34:25 -0700 (Wed, 20 Sep 2006)

Log Message:
-----------
Added a test to Check the unrestricted Gaussian calc for the correct dimensions of atomnos.

Modified Paths:
--------------
    trunk/test/testSPun.py


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[cclib-svn] SF.net SVN: cclib: [530] trunk/test/testSPun.py

[<la...@us...>]

Revision: 530
          http://svn.sourceforge.net/cclib/?rev=530&view=rev
Author:   langner
Date:     2007-02-21 03:08:55 -0800 (Wed, 21 Feb 2007)

Log Message:
-----------
Overriding test methods for aooverlaps, mocoeffs, and mosyms for Jaguar 4.2 and 6.5, since the test files do not contain them.

Modified Paths:
--------------
    trunk/test/testSPun.py


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[cclib-svn] SF.net SVN: cclib: [531] trunk/test/testSPun.py

[<la...@us...>]

Revision: 531
          http://svn.sourceforge.net/cclib/?rev=531&view=rev
Author:   langner
Date:     2007-02-21 03:34:06 -0800 (Wed, 21 Feb 2007)

Log Message:
-----------
One more method overriden for jaguar 6.0 parser: for mosyms in SPun test (also not in out file).

Modified Paths:
--------------
    trunk/test/testSPun.py


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[cclib-svn] SF.net SVN: cclib: [535] trunk/test/testSPun.py

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

Revision: 535
          http://svn.sourceforge.net/cclib/?rev=535&view=rev
Author:   baoilleach
Date:     2007-02-21 12:08:45 -0800 (Wed, 21 Feb 2007)

Log Message:
-----------
testSPun.py: Changed the test for Jag6.5 moenergies to fit the log file, which doesn't contain the full no. of moenergies.

Modified Paths:
--------------
    trunk/test/testSPun.py


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[cclib-svn] SF.net SVN: cclib: [537] trunk/test/testSPun.py

[<la...@us...>]

Revision: 537
          http://svn.sourceforge.net/cclib/?rev=537&view=rev
Author:   langner
Date:     2007-02-22 02:56:43 -0800 (Thu, 22 Feb 2007)

Log Message:
-----------
Minor typos in docstrings.

Modified Paths:
--------------
    trunk/test/testSPun.py


This was sent by the SourceForge.net collaborative development platform, the world's largest Open Source development site.