[cclib-svn] SF.net SVN: cclib: [566] branches/cclib-0.7

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

Revision: 566
          http://svn.sourceforge.net/cclib/?rev=566&view=rev
Author:   baoilleach
Date:     2007-03-02 00:15:28 -0800 (Fri, 02 Mar 2007)

Log Message:
-----------
Merged revisions 550-553,555-558,560-563 via svnmerge from 
https://cclib.svn.sourceforge.net/svnroot/cclib/trunk

........
  r550 | baoilleach | 2007-02-27 14:24:06 +0000 (Tue, 27 Feb 2007) | 1 line
  
  testCore: 3 tests fail, 1 test passes.
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  r551 | baoilleach | 2007-02-27 16:22:19 +0000 (Tue, 27 Feb 2007) | 1 line
  
  GAMESS-UK: Adding coreelectrons. Now passes test.
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  r552 | atenderholt | 2007-02-28 05:56:31 +0000 (Wed, 28 Feb 2007) | 2 lines
  
  Updated the Changelog in trunk to describe the CDA and Fragment analysis methods
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  r553 | baoilleach | 2007-02-28 20:58:13 +0000 (Wed, 28 Feb 2007) | 1 line
  
  testCore: Corrected the ADF test. There's no ECP on the Cl.
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  r555 | baoilleach | 2007-03-01 10:00:35 +0000 (Thu, 01 Mar 2007) | 2 lines
  
  (1) Updated the logfile parser docstring...for what it's worth. None of the subclasses share this docstring as they all override it. Should change this.
  (2) Minor change to the indentation of the CHANGELOG as preferred by vim.
........
  r556 | baoilleach | 2007-03-01 10:13:35 +0000 (Thu, 01 Mar 2007) | 1 line
  
  testGeoOpt: Added sanity check to ensure that coreelectrons was being created and was set to all zeros.
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  r557 | langner | 2007-03-01 11:33:13 +0000 (Thu, 01 Mar 2007) | 1 line
  
  Added coreelectrons test files for GAMESS-US and code to parser, test now passes.
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  r558 | langner | 2007-03-01 12:00:26 +0000 (Thu, 01 Mar 2007) | 1 line
  
  Minor change in logfile.py: separated call to self._extract() from checking if class is generic (this messed up some tests).
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  r560 | langner | 2007-03-01 12:08:49 +0000 (Thu, 01 Mar 2007) | 1 line
  
  Fixed mpenergies parsing in GAMESS (I don't know how this got broken?).
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  r561 | baoilleach | 2007-03-01 12:46:13 +0000 (Thu, 01 Mar 2007) | 1 line
  
  testMP: Adding tests for PC-GAMESS MPx files. x=2 passes, x=3,4 fail.
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  r562 | baoilleach | 2007-03-01 13:05:24 +0000 (Thu, 01 Mar 2007) | 1 line
  
  testCore,testMP: corrected typos for names of parsers.
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  r563 | langner | 2007-03-01 21:22:18 +0000 (Thu, 01 Mar 2007) | 1 line
  
  Code for parsing MP3&4 energies from PC-GAMESS; separation of MP4(SDQ) and MP4(SDTQ) in testMP. Note: include in 0.7 release.
........

Modified Paths:
--------------
    branches/cclib-0.7/CHANGELOG
    branches/cclib-0.7/src/cclib/parser/gamessparser.py
    branches/cclib-0.7/src/cclib/parser/gamessukparser.py
    branches/cclib-0.7/src/cclib/parser/logfileparser.py
    branches/cclib-0.7/test/testCore.py
    branches/cclib-0.7/test/testGeoOpt.py
    branches/cclib-0.7/test/testMP.py

Added Paths:
-----------
    branches/cclib-0.7/data/GAMESS/basicGAMESS-US/MoOCl4-sp.inp
    branches/cclib-0.7/data/GAMESS/basicGAMESS-US/MoOCl4-sp.out

Property Changed:
----------------
    branches/cclib-0.7/


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