Menu
▾
▴
cclib-svn — Log messages of SVN commits
This list is closed, nobody may subscribe to it.
| 2006 |
Jan
|
Feb
|
Mar
(34) |
Apr
(46) |
May
(61) |
Jun
(32) |
Jul
(37) |
Aug
(55) |
Sep
(25) |
Oct
(44) |
Nov
(28) |
Dec
(23) |
|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 2007 |
Jan
(27) |
Feb
(71) |
Mar
(55) |
Apr
(10) |
May
(18) |
Jun
(32) |
Jul
(36) |
Aug
(33) |
Sep
(25) |
Oct
(21) |
Nov
(22) |
Dec
|
| 2008 |
Jan
|
Feb
|
Mar
(4) |
Apr
(1) |
May
(4) |
Jun
(9) |
Jul
(10) |
Aug
(3) |
Sep
(1) |
Oct
|
Nov
|
Dec
|
| 2009 |
Jan
|
Feb
(6) |
Mar
|
Apr
(5) |
May
|
Jun
(1) |
Jul
(17) |
Aug
|
Sep
(1) |
Oct
(10) |
Nov
(2) |
Dec
|
| 2010 |
Jan
(2) |
Feb
(6) |
Mar
(7) |
Apr
(14) |
May
|
Jun
(2) |
Jul
(2) |
Aug
(3) |
Sep
(5) |
Oct
|
Nov
|
Dec
(1) |
| 2011 |
Jan
(6) |
Feb
|
Mar
(10) |
Apr
(9) |
May
|
Jun
(1) |
Jul
(2) |
Aug
|
Sep
(1) |
Oct
|
Nov
|
Dec
|
| 2012 |
Jan
(4) |
Feb
(1) |
Mar
(2) |
Apr
(11) |
May
|
Jun
|
Jul
(7) |
Aug
|
Sep
|
Oct
(18) |
Nov
(22) |
Dec
(6) |
| 2013 |
Jan
|
Feb
(21) |
Mar
(3) |
Apr
(3) |
May
|
Jun
(2) |
Jul
(1) |
Aug
(5) |
Sep
(4) |
Oct
(1) |
Nov
(11) |
Dec
(4) |
|
From: <la...@us...> - 2007-03-14 21:02:12
|
Revision: 576
http://svn.sourceforge.net/cclib/?rev=576&view=rev
Author: langner
Date: 2007-03-14 14:02:01 -0700 (Wed, 14 Mar 2007)
Log Message:
-----------
Added testCI: tests for Configuration Interaction calculations; GAMESS now parses etenergies from CI output.
Modified Paths:
--------------
trunk/src/cclib/parser/gamessparser.py
trunk/test/testall.py
Added Paths:
-----------
trunk/test/testCI.py
This was sent by the SourceForge.net collaborative development platform, the world's largest Open Source development site.
|
|
From: <la...@us...> - 2007-03-09 17:06:28
|
Revision: 574
http://svn.sourceforge.net/cclib/?rev=574&view=rev
Author: langner
Date: 2007-03-09 08:54:06 -0800 (Fri, 09 Mar 2007)
Log Message:
-----------
Typos in ANNOUNCE.
Modified Paths:
--------------
trunk/ANNOUNCE
This was sent by the SourceForge.net collaborative development platform, the world's largest Open Source development site.
|
|
From: <la...@us...> - 2007-03-09 17:06:23
|
Revision: 575
http://svn.sourceforge.net/cclib/?rev=575&view=rev
Author: langner
Date: 2007-03-09 09:01:17 -0800 (Fri, 09 Mar 2007)
Log Message:
-----------
Synhed docstring with wiki page.
Modified Paths:
--------------
trunk/src/cclib/parser/logfileparser.py
This was sent by the SourceForge.net collaborative development platform, the world's largest Open Source development site.
|
|
From: <la...@us...> - 2007-03-05 17:48:30
|
Revision: 573
http://svn.sourceforge.net/cclib/?rev=573&view=rev
Author: langner
Date: 2007-03-05 09:48:26 -0800 (Mon, 05 Mar 2007)
Log Message:
-----------
Added CIS test fro Gaussian; new CIS test for GAMESS-US.
Modified Paths:
--------------
trunk/data/GAMESS/basicGAMESS-US/water_cis.inp
trunk/data/GAMESS/basicGAMESS-US/water_cis.out
Added Paths:
-----------
trunk/data/Gaussian/basicGaussian03/water_cis.com
trunk/data/Gaussian/basicGaussian03/water_cis.log
This was sent by the SourceForge.net collaborative development platform, the world's largest Open Source development site.
|
|
From: <la...@us...> - 2007-03-05 16:14:46
|
Revision: 572
http://svn.sourceforge.net/cclib/?rev=572&view=rev
Author: langner
Date: 2007-03-05 08:14:34 -0800 (Mon, 05 Mar 2007)
Log Message:
-----------
Added testTD.py: tests for TD HF/DFT calculations.
Added Paths:
-----------
trunk/test/testTD.py
This was sent by the SourceForge.net collaborative development platform, the world's largest Open Source development site.
|
|
From: <la...@us...> - 2007-03-04 14:19:18
|
Revision: 571
http://svn.sourceforge.net/cclib/?rev=571&view=rev
Author: langner
Date: 2007-03-04 06:19:13 -0800 (Sun, 04 Mar 2007)
Log Message:
-----------
Adding CIS test job for GAMESS-US (not for release).
Added Paths:
-----------
trunk/data/GAMESS/basicGAMESS-US/water_cis.inp
trunk/data/GAMESS/basicGAMESS-US/water_cis.out
This was sent by the SourceForge.net collaborative development platform, the world's largest Open Source development site.
|
|
From: <bao...@us...> - 2007-03-04 12:58:27
|
Revision: 570
http://svn.sourceforge.net/cclib/?rev=570&view=rev
Author: baoilleach
Date: 2007-03-04 04:58:26 -0800 (Sun, 04 Mar 2007)
Log Message:
-----------
Tagging cclib 0.7b for release
Added Paths:
-----------
tags/cclib-0.7b/
This was sent by the SourceForge.net collaborative development platform, the world's largest Open Source development site.
|
|
From: <bao...@us...> - 2007-03-04 12:55:50
|
Revision: 569
http://svn.sourceforge.net/cclib/?rev=569&view=rev
Author: baoilleach
Date: 2007-03-04 04:55:48 -0800 (Sun, 04 Mar 2007)
Log Message:
-----------
Merged revisions 568 via svnmerge from
https://cclib.svn.sourceforge.net/svnroot/cclib/trunk
........
r568 | baoilleach | 2007-03-04 12:53:42 +0000 (Sun, 04 Mar 2007) | 1 line
cclib-0.7b release: Small updates to ANNOUNCE and manifest.py
........
Modified Paths:
--------------
branches/cclib-0.7/ANNOUNCE
branches/cclib-0.7/manifest.py
Property Changed:
----------------
branches/cclib-0.7/
This was sent by the SourceForge.net collaborative development platform, the world's largest Open Source development site.
|
|
From: <bao...@us...> - 2007-03-04 12:53:49
|
Revision: 568
http://svn.sourceforge.net/cclib/?rev=568&view=rev
Author: baoilleach
Date: 2007-03-04 04:53:42 -0800 (Sun, 04 Mar 2007)
Log Message:
-----------
cclib-0.7b release: Small updates to ANNOUNCE and manifest.py
Modified Paths:
--------------
trunk/ANNOUNCE
trunk/manifest.py
This was sent by the SourceForge.net collaborative development platform, the world's largest Open Source development site.
|
|
From: <bao...@us...> - 2007-03-03 18:15:44
|
Revision: 567
http://svn.sourceforge.net/cclib/?rev=567&view=rev
Author: baoilleach
Date: 2007-03-03 10:15:41 -0800 (Sat, 03 Mar 2007)
Log Message:
-----------
cclib-0.7: Partial merge of trunk r543 that allows MP energies to be parsed from CC calculations
Modified Paths:
--------------
branches/cclib-0.7/src/cclib/parser/gamessparser.py
This was sent by the SourceForge.net collaborative development platform, the world's largest Open Source development site.
|
|
From: <bao...@us...> - 2007-03-02 08:15:30
|
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.
........
r551 | baoilleach | 2007-02-27 16:22:19 +0000 (Tue, 27 Feb 2007) | 1 line
GAMESS-UK: Adding coreelectrons. Now passes test.
........
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
........
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.
........
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.
........
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.
........
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).
........
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?).
........
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.
........
r562 | baoilleach | 2007-03-01 13:05:24 +0000 (Thu, 01 Mar 2007) | 1 line
testCore,testMP: corrected typos for names of parsers.
........
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/
This was sent by the SourceForge.net collaborative development platform, the world's largest Open Source development site.
|
|
From: <bao...@us...> - 2007-03-02 08:09:47
|
Revision: 565
http://svn.sourceforge.net/cclib/?rev=565&view=rev
Author: baoilleach
Date: 2007-03-02 00:09:44 -0800 (Fri, 02 Mar 2007)
Log Message:
-----------
Blocked revisions 554 via svnmerge
........
r554 | baoilleach | 2007-03-01 09:40:12 +0000 (Thu, 01 Mar 2007) | 1 line
ccget: Adding mpenergies. Note: don't merge this to release branch as the change has already been made.
........
Property Changed:
----------------
branches/cclib-0.7/
This was sent by the SourceForge.net collaborative development platform, the world's largest Open Source development site.
|
|
From: <bao...@us...> - 2007-03-02 07:59:29
|
Revision: 564
http://svn.sourceforge.net/cclib/?rev=564&view=rev
Author: baoilleach
Date: 2007-03-01 23:59:25 -0800 (Thu, 01 Mar 2007)
Log Message:
-----------
Blocked revisions 559 via svnmerge
........
r559 | langner | 2007-03-01 12:03:00 +0000 (Thu, 01 Mar 2007) | 1 line
Fixed compatibility of parsing mpenergies and ccenergies in Gaussian parser.
........
Property Changed:
----------------
branches/cclib-0.7/
This was sent by the SourceForge.net collaborative development platform, the world's largest Open Source development site.
|
|
From: <la...@us...> - 2007-03-01 21:22:26
|
Revision: 563
http://svn.sourceforge.net/cclib/?rev=563&view=rev
Author: langner
Date: 2007-03-01 13:22:18 -0800 (Thu, 01 Mar 2007)
Log Message:
-----------
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:
--------------
trunk/src/cclib/parser/gamessparser.py
trunk/test/testMP.py
This was sent by the SourceForge.net collaborative development platform, the world's largest Open Source development site.
|
|
From: <bao...@us...> - 2007-03-01 13:05:27
|
Revision: 562
http://svn.sourceforge.net/cclib/?rev=562&view=rev
Author: baoilleach
Date: 2007-03-01 05:05:24 -0800 (Thu, 01 Mar 2007)
Log Message:
-----------
testCore,testMP: corrected typos for names of parsers.
Modified Paths:
--------------
trunk/test/testCore.py
trunk/test/testMP.py
This was sent by the SourceForge.net collaborative development platform, the world's largest Open Source development site.
|
|
From: <bao...@us...> - 2007-03-01 12:46:15
|
Revision: 561
http://svn.sourceforge.net/cclib/?rev=561&view=rev
Author: baoilleach
Date: 2007-03-01 04:46:13 -0800 (Thu, 01 Mar 2007)
Log Message:
-----------
testMP: Adding tests for PC-GAMESS MPx files. x=2 passes, x=3,4 fail.
Modified Paths:
--------------
trunk/test/testMP.py
This was sent by the SourceForge.net collaborative development platform, the world's largest Open Source development site.
|
|
From: <la...@us...> - 2007-03-01 12:08:54
|
Revision: 560
http://svn.sourceforge.net/cclib/?rev=560&view=rev
Author: langner
Date: 2007-03-01 04:08:49 -0800 (Thu, 01 Mar 2007)
Log Message:
-----------
Fixed mpenergies parsing in GAMESS (I don't know how this got broken?).
Modified Paths:
--------------
trunk/src/cclib/parser/gamessparser.py
This was sent by the SourceForge.net collaborative development platform, the world's largest Open Source development site.
|
|
From: <la...@us...> - 2007-03-01 12:03:05
|
Revision: 559
http://svn.sourceforge.net/cclib/?rev=559&view=rev
Author: langner
Date: 2007-03-01 04:03:00 -0800 (Thu, 01 Mar 2007)
Log Message:
-----------
Fixed compatibility of parsing mpenergies and ccenergies in Gaussian parser.
Modified Paths:
--------------
trunk/src/cclib/parser/gaussianparser.py
This was sent by the SourceForge.net collaborative development platform, the world's largest Open Source development site.
|
|
From: <la...@us...> - 2007-03-01 12:00:31
|
Revision: 558
http://svn.sourceforge.net/cclib/?rev=558&view=rev
Author: langner
Date: 2007-03-01 04:00:26 -0800 (Thu, 01 Mar 2007)
Log Message:
-----------
Minor change in logfile.py: separated call to self._extract() from checking if class is generic (this messed up some tests).
Modified Paths:
--------------
trunk/src/cclib/parser/logfileparser.py
This was sent by the SourceForge.net collaborative development platform, the world's largest Open Source development site.
|
|
From: <la...@us...> - 2007-03-01 11:33:26
|
Revision: 557
http://svn.sourceforge.net/cclib/?rev=557&view=rev
Author: langner
Date: 2007-03-01 03:33:13 -0800 (Thu, 01 Mar 2007)
Log Message:
-----------
Added coreelectrons test files for GAMESS-US and code to parser, test now passes.
Modified Paths:
--------------
trunk/src/cclib/parser/gamessparser.py
trunk/test/testCore.py
Added Paths:
-----------
trunk/data/GAMESS/basicGAMESS-US/MoOCl4-sp.inp
trunk/data/GAMESS/basicGAMESS-US/MoOCl4-sp.out
This was sent by the SourceForge.net collaborative development platform, the world's largest Open Source development site.
|
|
From: <bao...@us...> - 2007-03-01 10:13:38
|
Revision: 556
http://svn.sourceforge.net/cclib/?rev=556&view=rev
Author: baoilleach
Date: 2007-03-01 02:13:35 -0800 (Thu, 01 Mar 2007)
Log Message:
-----------
testGeoOpt: Added sanity check to ensure that coreelectrons was being created and was set to all zeros.
Modified Paths:
--------------
trunk/test/testGeoOpt.py
This was sent by the SourceForge.net collaborative development platform, the world's largest Open Source development site.
|
|
From: <bao...@us...> - 2007-03-01 10:00:47
|
Revision: 555
http://svn.sourceforge.net/cclib/?rev=555&view=rev
Author: baoilleach
Date: 2007-03-01 02:00:35 -0800 (Thu, 01 Mar 2007)
Log Message:
-----------
(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.
Modified Paths:
--------------
trunk/CHANGELOG
trunk/src/cclib/parser/logfileparser.py
This was sent by the SourceForge.net collaborative development platform, the world's largest Open Source development site.
|
|
From: <bao...@us...> - 2007-03-01 09:40:19
|
Revision: 554
http://svn.sourceforge.net/cclib/?rev=554&view=rev
Author: baoilleach
Date: 2007-03-01 01:40:12 -0800 (Thu, 01 Mar 2007)
Log Message:
-----------
ccget: Adding mpenergies. Note: don't merge this to release branch as the change has already been made.
Modified Paths:
--------------
trunk/src/scripts/ccget
This was sent by the SourceForge.net collaborative development platform, the world's largest Open Source development site.
|
|
From: <bao...@us...> - 2007-02-28 20:58:22
|
Revision: 553
http://svn.sourceforge.net/cclib/?rev=553&view=rev
Author: baoilleach
Date: 2007-02-28 12:58:13 -0800 (Wed, 28 Feb 2007)
Log Message:
-----------
testCore: Corrected the ADF test. There's no ECP on the Cl.
Modified Paths:
--------------
trunk/test/testCore.py
This was sent by the SourceForge.net collaborative development platform, the world's largest Open Source development site.
|
|
From: <ate...@us...> - 2007-02-28 05:56:38
|
Revision: 552
http://svn.sourceforge.net/cclib/?rev=552&view=rev
Author: atenderholt
Date: 2007-02-27 21:56:31 -0800 (Tue, 27 Feb 2007)
Log Message:
-----------
Updated the Changelog in trunk to describe the CDA and Fragment analysis methods
Modified Paths:
--------------
trunk/CHANGELOG
This was sent by the SourceForge.net collaborative development platform, the world's largest Open Source development site.
|
