Thread: [cclib-svn] SF.net SVN: cclib: [494] trunk/src/cclib/parser (Page 2)

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cclib-svn

[cclib-svn] SF.net SVN: cclib: [494] trunk/src/cclib/parser

From: <la...@us...> - 2007-02-03 11:13:57

Revision: 494
          http://svn.sourceforge.net/cclib/?rev=494&view=rev
Author:   langner
Date:     2007-02-03 03:13:55 -0800 (Sat, 03 Feb 2007)

Log Message:
-----------
Oops, moving back to revision 492. Previous commit belongs in the parser-refactoring branch.

Revision Links:
--------------
    http://svn.sourceforge.net/cclib/?rev=492&view=rev

Modified Paths:
--------------
    trunk/src/cclib/parser/gaussianparser.py
    trunk/src/cclib/parser/logfileparser.py


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[cclib-svn] SF.net SVN: cclib: [518] trunk/src/cclib/parser

From: <bao...@us...> - 2007-02-14 08:09:23

Revision: 518
          http://svn.sourceforge.net/cclib/?rev=518&view=rev
Author:   baoilleach
Date:     2007-02-14 00:09:21 -0800 (Wed, 14 Feb 2007)

Log Message:
-----------
GAMESSUK gbasis now works fine for symmetrical molecules. Corrected small error in GAMESS gbasis.

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


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[cclib-svn] SF.net SVN: cclib: [539] trunk/src/cclib/parser

From: <la...@us...> - 2007-02-22 12:02:15

Revision: 539
          http://svn.sourceforge.net/cclib/?rev=539&view=rev
Author:   langner
Date:     2007-02-22 04:02:13 -0800 (Thu, 22 Feb 2007)

Log Message:
-----------
Added code for parsing CCD, CCSD, and CCSD(T) runs in GAMESS-UK.

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


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[cclib-svn] SF.net SVN: cclib: [613] trunk/src/cclib/parser

From: <la...@us...> - 2007-04-26 11:40:49

Revision: 613
          http://svn.sourceforge.net/cclib/?rev=613&view=rev
Author:   langner
Date:     2007-04-26 04:40:46 -0700 (Thu, 26 Apr 2007)

Log Message:
-----------
Made fupdate and cupdate attributes of the parser class - don't have to be passed to extract() anymore.

Modified Paths:
--------------
    trunk/src/cclib/parser/adfparser.py
    trunk/src/cclib/parser/gamessparser.py
    trunk/src/cclib/parser/gamessukparser.py
    trunk/src/cclib/parser/gaussianparser.py
    trunk/src/cclib/parser/jaguarparser.py
    trunk/src/cclib/parser/logfileparser.py


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[cclib-svn] SF.net SVN: cclib: [614] trunk/src/cclib/parser

From: <la...@us...> - 2007-04-26 13:18:06

Revision: 614
          http://svn.sourceforge.net/cclib/?rev=614&view=rev
Author:   langner
Date:     2007-04-26 06:17:26 -0700 (Thu, 26 Apr 2007)

Log Message:
-----------
Parser paradigm shift: moved loop over lines in file object to LogFile.parse(); extract() is now called repeatedly instead of once. All variables used across calls in extract() are now attributes of the parser, and are deleted after parsing. Note: comments in the parsers were aligned with code to make bulk indentation possible. No changes in tests and regression results.

Modified Paths:
--------------
    trunk/src/cclib/parser/adfparser.py
    trunk/src/cclib/parser/gamessparser.py
    trunk/src/cclib/parser/gamessukparser.py
    trunk/src/cclib/parser/gaussianparser.py
    trunk/src/cclib/parser/jaguarparser.py
    trunk/src/cclib/parser/logfileparser.py


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[cclib-svn] SF.net SVN: cclib: [632] trunk/src/cclib/parser

From: <bao...@us...> - 2007-05-23 07:01:05

Revision: 632
          http://svn.sourceforge.net/cclib/?rev=632&view=rev
Author:   baoilleach
Date:     2007-05-23 00:01:01 -0700 (Wed, 23 May 2007)

Log Message:
-----------
Adding atombasis, indices of the atomic basis functions on each atom (a list of lists) (logfileparser, G03)

Modified Paths:
--------------
    trunk/src/cclib/parser/gaussianparser.py
    trunk/src/cclib/parser/logfileparser.py


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[cclib-svn] SF.net SVN: cclib: [741] trunk/src/cclib/parser

From: <la...@us...> - 2007-09-02 14:36:26

Revision: 741
          http://cclib.svn.sourceforge.net/cclib/?rev=741&view=rev
Author:   langner
Date:     2007-09-02 07:36:20 -0700 (Sun, 02 Sep 2007)

Log Message:
-----------
Fix for calling cclib.parser.ccopen(..., loglevel=0), which set fupdate instead of loglevel. Also, ccopen does not use logname presently.

Modified Paths:
--------------
    trunk/src/cclib/parser/logfileparser.py
    trunk/src/cclib/parser/utils.py


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[cclib-svn] SF.net SVN: cclib: [784] trunk/src/cclib/parser

From: <la...@us...> - 2007-11-01 09:52:56

Revision: 784
          http://cclib.svn.sourceforge.net/cclib/?rev=784&view=rev
Author:   langner
Date:     2007-11-01 02:52:52 -0700 (Thu, 01 Nov 2007)

Log Message:
-----------
Added **kwawrgs to __init__ arguments list of all parsers to allow for more flexible subclassing.

Modified Paths:
--------------
    trunk/src/cclib/parser/adfparser.py
    trunk/src/cclib/parser/gamessparser.py
    trunk/src/cclib/parser/gamessukparser.py
    trunk/src/cclib/parser/gaussianparser.py
    trunk/src/cclib/parser/jaguarparser.py
    trunk/src/cclib/parser/molproparser.py
    trunk/src/cclib/parser/orcaparser.py


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