cclib-svn

[cclib-svn] SF.net SVN: cclib:[831] trunk/test

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

Revision: 831
          http://cclib.svn.sourceforge.net/cclib/?rev=831&view=rev
Author:   atenderholt
Date:     2008-07-22 18:01:05 +0000 (Tue, 22 Jul 2008)

Log Message:
-----------
TD test: adding support for testing the ADF dvb_td logfile.

Modified Paths:
--------------
    trunk/test/testTD.py
    trunk/test/testdata


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[cclib-svn] SF.net SVN: cclib:[853] trunk/test

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

Revision: 853
          http://cclib.svn.sourceforge.net/cclib/?rev=853&view=rev
Author:   langner
Date:     2009-07-15 16:06:25 +0000 (Wed, 15 Jul 2009)

Log Message:
-----------
Use numpy.issubdtype instead of Pythonic isinstance, since numpy now defines it's own scalar types. This fixes many failures that come up when using recent versions of numpy.

Modified Paths:
--------------
    trunk/test/testGeoOpt.py
    trunk/test/testSP.py


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[cclib-svn] SF.net SVN: cclib:[1015] trunk/test

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

Revision: 1015
          http://cclib.svn.sourceforge.net/cclib/?rev=1015&view=rev
Author:   langner
Date:     2012-11-30 20:08:24 +0000 (Fri, 30 Nov 2012)
Log Message:
-----------
Do not run unit test on old GAMESS-US TD triplet logfile, just do a subset in dedicated regression test

Modified Paths:
--------------
    trunk/test/regression.py
    trunk/test/testTD.py

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[cclib-svn] SF.net SVN: cclib:[1019] trunk/test

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

Revision: 1019
          http://cclib.svn.sourceforge.net/cclib/?rev=1019&view=rev
Author:   langner
Date:     2012-12-01 20:57:31 +0000 (Sat, 01 Dec 2012)
Log Message:
-----------
Make order of parsers used in tests alphabetical

Modified Paths:
--------------
    trunk/test/regression.py
    trunk/test/testall.py

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[cclib-svn] SF.net SVN: cclib:[1056] trunk/test

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

Revision: 1056
          http://sourceforge.net/p/cclib/code/1056
Author:   atenderholt
Date:     2013-08-09 20:47:05 +0000 (Fri, 09 Aug 2013)
Log Message:
-----------
A few fixes to the tests related to Python3 dicts

* dict.iteritems() is no longer available
* dict.keys(), dict.items() return iterators (?), so .sort() is unavailable

Modified Paths:
--------------
    trunk/test/testGeoOpt.py
    trunk/test/testSP.py
    trunk/test/testall.py

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[cclib-svn] SF.net SVN: cclib:[999] trunk/test

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

Revision: 999
          http://cclib.svn.sourceforge.net/cclib/?rev=999&view=rev
Author:   langner
Date:     2012-11-12 23:09:31 +0000 (Mon, 12 Nov 2012)
Log Message:
-----------
Relax the accuracy threshold for atomcharges in SP and GeoOpt tests (helps ADF pass them)

Modified Paths:
--------------
    trunk/test/testGeoOpt.py
    trunk/test/testSP.py

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[cclib-svn] SF.net SVN: cclib:[1005] trunk/test

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

Revision: 1005
          http://cclib.svn.sourceforge.net/cclib/?rev=1005&view=rev
Author:   langner
Date:     2012-11-28 00:36:26 +0000 (Wed, 28 Nov 2012)
Log Message:
-----------
Add a separate unit test in testvib.py for imaginary frequencies (just for GAMESS-US now)

Modified Paths:
--------------
    trunk/test/testdata
    trunk/test/testvib.py

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[cclib-svn] SF.net SVN: cclib:[1011] trunk/test

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

Revision: 1011
          http://cclib.svn.sourceforge.net/cclib/?rev=1011&view=rev
Author:   langner
Date:     2012-11-29 21:49:57 +0000 (Thu, 29 Nov 2012)
Log Message:
-----------
Generalize automatic unit testing of olf unit test logfile as regressions

Modified Paths:
--------------
    trunk/test/regression.py
    trunk/test/testBasis.py
    trunk/test/testCore.py

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[cclib-svn] SF.net SVN: cclib:[1016] trunk/test

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

Revision: 1016
          http://cclib.svn.sourceforge.net/cclib/?rev=1016&view=rev
Author:   langner
Date:     2012-12-01 16:44:31 +0000 (Sat, 01 Dec 2012)
Log Message:
-----------
Allow any combination of test modules and parsers to be passed

Modified Paths:
--------------
    trunk/test/regression.py
    trunk/test/testall.py

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