cclib-svn

[cclib-svn] SF.net SVN: cclib:[834] trunk/src/cclib/parser/gamessparser.py

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

Revision: 834
          http://cclib.svn.sourceforge.net/cclib/?rev=834&view=rev
Author:   langner
Date:     2008-08-11 21:03:29 +0000 (Mon, 11 Aug 2008)

Log Message:
-----------
Fixed GAMESS parser so that it does not break when not all MO vectors are printed. This is checked by regression test 2CO.ccsd.aug-cc-pVDZ.out. Still, the outcome is not understandable.

Modified Paths:
--------------
    trunk/src/cclib/parser/gamessparser.py


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[cclib-svn] SF.net SVN: cclib:[854] trunk/src/cclib/parser/gamessparser.py

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

Revision: 854
          http://cclib.svn.sourceforge.net/cclib/?rev=854&view=rev
Author:   langner
Date:     2009-07-16 09:09:13 +0000 (Thu, 16 Jul 2009)

Log Message:
-----------
Parse natom only once in GAMESS - failsafe for jobs where fragments are considered (number of atoms can vary).

Modified Paths:
--------------
    trunk/src/cclib/parser/gamessparser.py


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[cclib-svn] SF.net SVN: cclib:[870] trunk/src/cclib/parser/gamessparser.py

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

Revision: 870
          http://cclib.svn.sourceforge.net/cclib/?rev=870&view=rev
Author:   langner
Date:     2009-10-17 15:21:51 +0000 (Sat, 17 Oct 2009)

Log Message:
-----------
Fixed scftargets/scfvalues for ROHF in GAMESS-US (tested by regression test exam17.log.bz2.

Modified Paths:
--------------
    trunk/src/cclib/parser/gamessparser.py


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[cclib-svn] SF.net SVN: cclib:[952] trunk/src/cclib/parser/gamessparser.py

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

Revision: 952
          http://cclib.svn.sourceforge.net/cclib/?rev=952&view=rev
Author:   langner
Date:     2012-01-19 15:14:33 +0000 (Thu, 19 Jan 2012)
Log Message:
-----------
Tidy up normal mode section in GAMESS parser

Modified Paths:
--------------
    trunk/src/cclib/parser/gamessparser.py

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[cclib-svn] SF.net SVN: cclib:[955] trunk/src/cclib/parser/gamessparser.py

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

Revision: 955
          http://cclib.svn.sourceforge.net/cclib/?rev=955&view=rev
Author:   atenderholt
Date:     2012-02-25 22:53:17 +0000 (Sat, 25 Feb 2012)
Log Message:
-----------
Gamessparser: implement Frank's (Chengju) fix for handling Gamess calculations with more than 99 atoms, with modifications because of the F orbitals

Modified Paths:
--------------
    trunk/src/cclib/parser/gamessparser.py

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[cclib-svn] SF.net SVN: cclib:[956] trunk/src/cclib/parser/gamessparser.py

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

Revision: 956
          http://cclib.svn.sourceforge.net/cclib/?rev=956&view=rev
Author:   atenderholt
Date:     2012-03-25 18:07:18 +0000 (Sun, 25 Mar 2012)
Log Message:
-----------
Fixed bug submitted by Pavel Solntsev; some basis fucntions had been dropped, resulting in nmo < nbasis

Modified Paths:
--------------
    trunk/src/cclib/parser/gamessparser.py

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[cclib-svn] SF.net SVN: cclib:[983] trunk/src/cclib/parser/gamessparser.py

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

Revision: 983
          http://cclib.svn.sourceforge.net/cclib/?rev=983&view=rev
Author:   langner
Date:     2012-10-06 10:12:29 +0000 (Sat, 06 Oct 2012)
Log Message:
-----------
Add support form atomcharges (Mulliken & Lowdin) in the GAMESS parser

Modified Paths:
--------------
    trunk/src/cclib/parser/gamessparser.py

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[cclib-svn] SF.net SVN: cclib:[988] trunk/src/cclib/parser/gamessparser.py

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

Revision: 988
          http://cclib.svn.sourceforge.net/cclib/?rev=988&view=rev
Author:   langner
Date:     2012-10-07 18:30:58 +0000 (Sun, 07 Oct 2012)
Log Message:
-----------
Fix regression errors related to atomcharges in GAMESS-US

Modified Paths:
--------------
    trunk/src/cclib/parser/gamessparser.py

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[cclib-svn] SF.net SVN: cclib:[1021] trunk/src/cclib/parser/gamessparser.py

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

Revision: 1021
          http://cclib.svn.sourceforge.net/cclib/?rev=1021&view=rev
Author:   langner
Date:     2012-12-03 22:14:34 +0000 (Mon, 03 Dec 2012)
Log Message:
-----------
Refactor vib* parser for GAMESS-US (fixes zlom_dft3a regression)

Modified Paths:
--------------
    trunk/src/cclib/parser/gamessparser.py

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[cclib-svn] SF.net SVN: cclib:[1029] trunk/src/cclib/parser/gamessparser.py

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

Revision: 1029
          http://sourceforge.net/p/cclib/code/1029
Author:   atenderholt
Date:     2013-02-10 01:05:13 +0000 (Sun, 10 Feb 2013)
Log Message:
-----------
Add progress dialog support to the GAMESS parser

* Unfortunately, there isn't a large enough file to truly test it.

Modified Paths:
--------------
    trunk/src/cclib/parser/gamessparser.py

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[cclib-svn] SF.net SVN: cclib:[1030] trunk/src/cclib/parser/gamessparser.py

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

Revision: 1030
          http://sourceforge.net/p/cclib/code/1030
Author:   atenderholt
Date:     2013-02-10 01:05:36 +0000 (Sun, 10 Feb 2013)
Log Message:
-----------
Progress update when parsing GAMESS coordinates

* Previously, I was using system cclib instead of dev cclib. Now shows
  progress dialogs as expected.

Modified Paths:
--------------
    trunk/src/cclib/parser/gamessparser.py

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[cclib-svn] SF.net SVN: cclib:[1063] trunk/src/cclib/parser/gamessparser.py

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

Revision: 1063
          http://sourceforge.net/p/cclib/code/1063
Author:   langner
Date:     2013-09-19 03:38:41 +0000 (Thu, 19 Sep 2013)
Log Message:
-----------
Some final touches to atomcharges parsing in GAMESS-US

Modified Paths:
--------------
    trunk/src/cclib/parser/gamessparser.py

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