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...> - 2012-01-19 14:36:34
|
Revision: 951
http://cclib.svn.sourceforge.net/cclib/?rev=951&view=rev
Author: langner
Date: 2012-01-19 14:36:23 +0000 (Thu, 19 Jan 2012)
Log Message:
-----------
Fix bug 3476063; add log as regression
Modified Paths:
--------------
trunk/data/regressionfiles.txt
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: <bao...@us...> - 2011-09-08 20:36:51
|
Revision: 950
http://cclib.svn.sourceforge.net/cclib/?rev=950&view=rev
Author: baoilleach
Date: 2011-09-08 20:36:45 +0000 (Thu, 08 Sep 2011)
Log Message:
-----------
Fix parsing bug reported by Bjoern Baumeier caused by molecules with > 99 atoms having pseudopotentials. Included the start of the log file as a test case.
Modified Paths:
--------------
trunk/data/regressionfiles.txt
trunk/src/cclib/parser/gaussianparser.py
trunk/test/regression.py
This was sent by the SourceForge.net collaborative development platform, the world's largest Open Source development site.
|
|
From: <la...@us...> - 2011-07-17 20:23:58
|
Revision: 949
http://cclib.svn.sourceforge.net/cclib/?rev=949&view=rev
Author: langner
Date: 2011-07-17 20:23:52 +0000 (Sun, 17 Jul 2011)
Log Message:
-----------
Fixed bug 1756789: moenergies will contain numpy.nan when Gaussian prints garbage.
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...> - 2011-07-17 20:05:15
|
Revision: 948
http://cclib.svn.sourceforge.net/cclib/?rev=948&view=rev
Author: langner
Date: 2011-07-17 20:05:09 +0000 (Sun, 17 Jul 2011)
Log Message:
-----------
Added regression file entry for bug 1756789.
Modified Paths:
--------------
trunk/data/regressionfiles.txt
trunk/test/regression.py
This was sent by the SourceForge.net collaborative development platform, the world's largest Open Source development site.
|
|
From: <ate...@us...> - 2011-06-22 08:34:17
|
Revision: 947
http://cclib.svn.sourceforge.net/cclib/?rev=947&view=rev
Author: atenderholt
Date: 2011-06-22 08:34:11 +0000 (Wed, 22 Jun 2011)
Log Message:
-----------
MPA and CDA methods: two fixes that allow spin unrestricted calculations to use the fragment MO overlaps correctly
Modified Paths:
--------------
trunk/src/cclib/method/cda.py
trunk/src/cclib/method/mpa.py
This was sent by the SourceForge.net collaborative development platform, the world's largest Open Source development site.
|
|
From: <ate...@us...> - 2011-04-07 16:44:33
|
Revision: 946
http://cclib.svn.sourceforge.net/cclib/?rev=946&view=rev
Author: atenderholt
Date: 2011-04-07 16:44:26 +0000 (Thu, 07 Apr 2011)
Log Message:
-----------
GAMESS 2010: adding test files provided by Xaver W.
Added Paths:
-----------
trunk/data/GAMESS/basicGAMESS2010/
trunk/data/GAMESS/basicGAMESS2010/dvb_gopt.inp
trunk/data/GAMESS/basicGAMESS2010/dvb_gopt.log
trunk/data/GAMESS/basicGAMESS2010/dvb_ir.inp
trunk/data/GAMESS/basicGAMESS2010/dvb_ir.log
trunk/data/GAMESS/basicGAMESS2010/dvb_sp.inp
trunk/data/GAMESS/basicGAMESS2010/dvb_sp.log
trunk/data/GAMESS/basicGAMESS2010/dvb_sp_un.inp
trunk/data/GAMESS/basicGAMESS2010/dvb_sp_un.log
trunk/data/GAMESS/basicGAMESS2010/dvb_td.inp
trunk/data/GAMESS/basicGAMESS2010/dvb_td.log
trunk/data/GAMESS/basicGAMESS2010/vi.log
This was sent by the SourceForge.net collaborative development platform, the world's largest Open Source development site.
|
|
From: <ate...@us...> - 2011-04-04 16:30:27
|
Revision: 945
http://cclib.svn.sourceforge.net/cclib/?rev=945&view=rev
Author: atenderholt
Date: 2011-04-04 16:30:20 +0000 (Mon, 04 Apr 2011)
Log Message:
-----------
ORCA data files: adding some test files (gopt, sp, sp_un, td, ir, raman) for ORCA 2.8 provided by Xaver
Added Paths:
-----------
trunk/data/ORCA/basicORCA2.8/
trunk/data/ORCA/basicORCA2.8/dvb_gopt.inp
trunk/data/ORCA/basicORCA2.8/dvb_gopt.out
trunk/data/ORCA/basicORCA2.8/dvb_ir.inp
trunk/data/ORCA/basicORCA2.8/dvb_ir.out
trunk/data/ORCA/basicORCA2.8/dvb_raman.inp
trunk/data/ORCA/basicORCA2.8/dvb_raman.out
trunk/data/ORCA/basicORCA2.8/dvb_sp.inp
trunk/data/ORCA/basicORCA2.8/dvb_sp.out
trunk/data/ORCA/basicORCA2.8/dvb_sp_un.inp
trunk/data/ORCA/basicORCA2.8/dvb_sp_un.out
trunk/data/ORCA/basicORCA2.8/dvb_td.inp
trunk/data/ORCA/basicORCA2.8/dvb_td.out
This was sent by the SourceForge.net collaborative development platform, the world's largest Open Source development site.
|
|
From: <bao...@us...> - 2011-04-02 17:37:49
|
Revision: 944
http://cclib.svn.sourceforge.net/cclib/?rev=944&view=rev
Author: baoilleach
Date: 2011-04-02 17:37:43 +0000 (Sat, 02 Apr 2011)
Log Message:
-----------
Py3: All tests now pass (bar 2, which fail on trunk)
Modified Paths:
--------------
branches/python3/manifest.py
branches/python3/src/cclib/parser/gamessukparser.py
branches/python3/src/cclib/parser/jaguarparser.py
branches/python3/src/cclib/parser/molproparser.py
branches/python3/src/cclib/parser/orcaparser.py
branches/python3/test/regression.py
This was sent by the SourceForge.net collaborative development platform, the world's largest Open Source development site.
|
|
From: <bao...@us...> - 2011-04-02 17:22:26
|
Revision: 943
http://cclib.svn.sourceforge.net/cclib/?rev=943&view=rev
Author: baoilleach
Date: 2011-04-02 17:22:20 +0000 (Sat, 02 Apr 2011)
Log Message:
-----------
Py3: ADF parser passes.
Modified Paths:
--------------
branches/python3/src/cclib/parser/adfparser.py
This was sent by the SourceForge.net collaborative development platform, the world's largest Open Source development site.
|
|
From: <bao...@us...> - 2011-04-02 17:14:55
|
Revision: 942
http://cclib.svn.sourceforge.net/cclib/?rev=942&view=rev
Author: baoilleach
Date: 2011-04-02 17:14:49 +0000 (Sat, 02 Apr 2011)
Log Message:
-----------
Py3: Get GAMESS tests to pass
Modified Paths:
--------------
branches/python3/src/cclib/parser/gamessparser.py
branches/python3/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...> - 2011-04-02 16:57:31
|
Revision: 941
http://cclib.svn.sourceforge.net/cclib/?rev=941&view=rev
Author: baoilleach
Date: 2011-04-02 16:57:25 +0000 (Sat, 02 Apr 2011)
Log Message:
-----------
Py3: Handle bzip and gzip files again. All Gaussian tests pass (that pass on trunk).
Modified Paths:
--------------
branches/python3/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...> - 2011-04-02 12:34:37
|
Revision: 940
http://cclib.svn.sourceforge.net/cclib/?rev=940&view=rev
Author: baoilleach
Date: 2011-04-02 12:34:30 +0000 (Sat, 02 Apr 2011)
Log Message:
-----------
After running Py2to3 plus some edits to the GaussianParser...
Modified Paths:
--------------
branches/python3/src/cclib/__init__.py
branches/python3/src/cclib/bridge/__init__.py
branches/python3/src/cclib/bridge/cclib2pyquante.py
branches/python3/src/cclib/method/__init__.py
branches/python3/src/cclib/method/cda.py
branches/python3/src/cclib/method/cspa.py
branches/python3/src/cclib/method/density.py
branches/python3/src/cclib/method/fragments.py
branches/python3/src/cclib/method/lpa.py
branches/python3/src/cclib/method/mbo.py
branches/python3/src/cclib/method/mpa.py
branches/python3/src/cclib/method/opa.py
branches/python3/src/cclib/method/population.py
branches/python3/src/cclib/method/volume.py
branches/python3/src/cclib/parser/__init__.py
branches/python3/src/cclib/parser/adfparser.py
branches/python3/src/cclib/parser/ccopen.py
branches/python3/src/cclib/parser/data.py
branches/python3/src/cclib/parser/gamessparser.py
branches/python3/src/cclib/parser/gamessukparser.py
branches/python3/src/cclib/parser/gaussianparser.py
branches/python3/src/cclib/parser/jaguarparser.py
branches/python3/src/cclib/parser/logfileparser.py
branches/python3/src/cclib/parser/molproparser.py
branches/python3/src/cclib/parser/orcaparser.py
branches/python3/src/cclib/progress/__init__.py
branches/python3/src/cclib/progress/textprogress.py
This was sent by the SourceForge.net collaborative development platform, the world's largest Open Source development site.
|
|
From: <bao...@us...> - 2011-04-01 12:42:16
|
Revision: 939
http://cclib.svn.sourceforge.net/cclib/?rev=939&view=rev
Author: baoilleach
Date: 2011-04-01 12:42:10 +0000 (Fri, 01 Apr 2011)
Log Message:
-----------
Minor fixes to regression.py. Mainly print statements, but also one import.
Modified Paths:
--------------
branches/python3/test/regression.py
This was sent by the SourceForge.net collaborative development platform, the world's largest Open Source development site.
|
|
From: <bao...@us...> - 2011-04-01 12:32:53
|
Revision: 938
http://cclib.svn.sourceforge.net/cclib/?rev=938&view=rev
Author: baoilleach
Date: 2011-04-01 12:32:47 +0000 (Fri, 01 Apr 2011)
Log Message:
-----------
Creating porting branch for Python 3
Added Paths:
-----------
branches/python3/
This was sent by the SourceForge.net collaborative development platform, the world's largest Open Source development site.
|
|
From: <ate...@us...> - 2011-03-28 03:00:25
|
Revision: 937
http://cclib.svn.sourceforge.net/cclib/?rev=937&view=rev
Author: atenderholt
Date: 2011-03-28 03:00:19 +0000 (Mon, 28 Mar 2011)
Log Message:
-----------
Turbomole parser: more fixes for MC's giant file; $basis and $coords lines weren't detected correctedly, possibly a platform issue.
Modified Paths:
--------------
branches/turbomoleparser/src/cclib/parser/turbomoleparser.py
This was sent by the SourceForge.net collaborative development platform, the world's largest Open Source development site.
|
|
From: <ate...@us...> - 2011-03-28 00:21:26
|
Revision: 936
http://cclib.svn.sourceforge.net/cclib/?rev=936&view=rev
Author: atenderholt
Date: 2011-03-28 00:21:19 +0000 (Mon, 28 Mar 2011)
Log Message:
-----------
Turbomole parser: remove double for loop that copies from a python list to a numpy array; instead use built-in numpy array function; also add progress when parsing coeffs (basically essential for MC's gigantic file)
Modified Paths:
--------------
branches/turbomoleparser/src/cclib/parser/turbomoleparser.py
This was sent by the SourceForge.net collaborative development platform, the world's largest Open Source development site.
|
|
From: <bao...@us...> - 2011-03-21 09:46:49
|
Revision: 935
http://cclib.svn.sourceforge.net/cclib/?rev=935&view=rev
Author: baoilleach
Date: 2011-03-21 09:46:41 +0000 (Mon, 21 Mar 2011)
Log Message:
-----------
Add new attribute, vibanharms, the anharmonic constant matrix (cm-1) to Gaussian09 (requested by John Simmie). Test file added to regressions.
Modified Paths:
--------------
trunk/data/regressionfiles.txt
trunk/src/cclib/parser/data.py
trunk/src/cclib/parser/gaussianparser.py
trunk/test/regression.py
This was sent by the SourceForge.net collaborative development platform, the world's largest Open Source development site.
|
|
From: <bao...@us...> - 2011-03-14 15:01:03
|
Revision: 934
http://cclib.svn.sourceforge.net/cclib/?rev=934&view=rev
Author: baoilleach
Date: 2011-03-14 15:00:57 +0000 (Mon, 14 Mar 2011)
Log Message:
-----------
Tag cclib 1.0.1
Added Paths:
-----------
tags/cclib-1.0.1/
This was sent by the SourceForge.net collaborative development platform, the world's largest Open Source development site.
|
|
From: <bao...@us...> - 2011-03-14 14:58:24
|
Revision: 933
http://cclib.svn.sourceforge.net/cclib/?rev=933&view=rev
Author: baoilleach
Date: 2011-03-14 14:58:18 +0000 (Mon, 14 Mar 2011)
Log Message:
-----------
Merged revisions 929,931 via svnmerge from
http://cclib.svn.sourceforge.net/svnroot/cclib/trunk
........
r929 | baoilleach | 2011-03-06 16:26:12 +0000 (Sun, 06 Mar 2011) | 1 line
Bump version to 1.0.1b
........
r931 | baoilleach | 2011-03-14 13:59:50 +0000 (Mon, 14 Mar 2011) | 1 line
Update for 1.0.1
........
Modified Paths:
--------------
branches/cclib-1.0.1/ANNOUNCE
branches/cclib-1.0.1/CHANGELOG
branches/cclib-1.0.1/INSTALL
branches/cclib-1.0.1/THANKS
branches/cclib-1.0.1/setup.py
branches/cclib-1.0.1/src/cclib/__init__.py
Property Changed:
----------------
branches/cclib-1.0.1/
This was sent by the SourceForge.net collaborative development platform, the world's largest Open Source development site.
|
|
From: <bao...@us...> - 2011-03-14 14:54:38
|
Revision: 932
http://cclib.svn.sourceforge.net/cclib/?rev=932&view=rev
Author: baoilleach
Date: 2011-03-14 14:54:32 +0000 (Mon, 14 Mar 2011)
Log Message:
-----------
Initialized merge tracking via "svnmerge" with revisions "1-927" from
https://cclib.svn.sourceforge.net/svnroot/cclib/trunk
Property Changed:
----------------
branches/cclib-1.0.1/
This was sent by the SourceForge.net collaborative development platform, the world's largest Open Source development site.
|
|
From: <bao...@us...> - 2011-03-14 13:59:58
|
Revision: 931
http://cclib.svn.sourceforge.net/cclib/?rev=931&view=rev
Author: baoilleach
Date: 2011-03-14 13:59:50 +0000 (Mon, 14 Mar 2011)
Log Message:
-----------
Update for 1.0.1
Modified Paths:
--------------
trunk/ANNOUNCE
trunk/CHANGELOG
trunk/INSTALL
trunk/THANKS
trunk/setup.py
trunk/src/cclib/__init__.py
This was sent by the SourceForge.net collaborative development platform, the world's largest Open Source development site.
|
|
From: <ate...@us...> - 2011-03-14 01:20:35
|
Revision: 930
http://cclib.svn.sourceforge.net/cclib/?rev=930&view=rev
Author: atenderholt
Date: 2011-03-14 01:20:29 +0000 (Mon, 14 Mar 2011)
Log Message:
-----------
Turbomole parser: fixes for file MC sent, although in the atoms section, still need to add commas to some of the orbital number lines
Modified Paths:
--------------
branches/turbomoleparser/src/cclib/parser/turbomoleparser.py
This was sent by the SourceForge.net collaborative development platform, the world's largest Open Source development site.
|
|
From: <bao...@us...> - 2011-03-06 16:26:18
|
Revision: 929
http://cclib.svn.sourceforge.net/cclib/?rev=929&view=rev
Author: baoilleach
Date: 2011-03-06 16:26:12 +0000 (Sun, 06 Mar 2011)
Log Message:
-----------
Bump version to 1.0.1b
Modified Paths:
--------------
trunk/setup.py
trunk/src/cclib/__init__.py
This was sent by the SourceForge.net collaborative development platform, the world's largest Open Source development site.
|
|
From: <bao...@us...> - 2011-03-06 16:15:59
|
Revision: 928
http://cclib.svn.sourceforge.net/cclib/?rev=928&view=rev
Author: baoilleach
Date: 2011-03-06 16:15:53 +0000 (Sun, 06 Mar 2011)
Log Message:
-----------
Create release branch for 1.0.1.
Added Paths:
-----------
branches/cclib-1.0.1/
This was sent by the SourceForge.net collaborative development platform, the world's largest Open Source development site.
|
|
From: <ate...@us...> - 2011-01-18 01:49:31
|
Revision: 927
http://cclib.svn.sourceforge.net/cclib/?rev=927&view=rev
Author: atenderholt
Date: 2011-01-18 01:49:24 +0000 (Tue, 18 Jan 2011)
Log Message:
-----------
Merged revisions 898-926 via svnmerge from
https://cclib.svn.sf.net/svnroot/cclib/trunk
........
r903 | langner | 2010-04-07 03:03:49 -0700 (Wed, 07 Apr 2010) | 1 line
Added regression file donated by Gregory Magoon (QVGXLLKOCUKJST-UHFFFAOYAJmult3Fixed.out), see cclib-devel mailing thread from 2010-04-06.
........
r904 | langner | 2010-04-07 03:25:47 -0700 (Wed, 07 Apr 2010) | 1 line
Partly introduced patch by gmagoon, fixing scfenergies and homos for the regression QVGXLLKOCUKJST-UHFFFAOYAJmult3Fixed.out
........
r905 | langner | 2010-04-07 16:13:55 -0700 (Wed, 07 Apr 2010) | 1 line
Added hessian to ccData docstring.
........
r906 | langner | 2010-04-09 02:38:37 -0700 (Fri, 09 Apr 2010) | 1 line
Added atommasses to ccData.
........
r907 | langner | 2010-04-09 07:27:24 -0700 (Fri, 09 Apr 2010) | 1 line
Added code for atommasses to Gaussian.
........
r908 | langner | 2010-04-09 08:28:54 -0700 (Fri, 09 Apr 2010) | 1 line
Added SP test for atommasses, and modified Gaussian code (this block has changed between Gaussian03 and Gaussian09).
........
r909 | baoilleach | 2010-06-23 11:58:15 -0700 (Wed, 23 Jun 2010) | 1 line
Added Adam's test file for NBsUse changing during a geo opt (changes twice actually), and removed assert statement preventing it from parsing.
........
r910 | baoilleach | 2010-06-23 13:59:08 -0700 (Wed, 23 Jun 2010) | 1 line
Fix bug reported by Marius Retegan. Some Gaussian 09 output files (e.g. dvb_gopt in our test suite) were missing atomnos.
........
r912 | baoilleach | 2010-07-22 08:26:23 -0700 (Thu, 22 Jul 2010) | 1 line
Fix G03 parser bug for a log file where several different pseudopotentials were used. Reported by Tiago Silva. Regression test file included.
........
r913 | baoilleach | 2010-08-17 04:28:11 -0700 (Tue, 17 Aug 2010) | 1 line
Test case and possible fix to Adam's 1000 basis set Gaussian file. I need to get the exact test case.
........
r914 | baoilleach | 2010-08-17 11:37:36 -0700 (Tue, 17 Aug 2010) | 1 line
Extended regression.py to handle fragment files. The tests for these files start with "testnoparse". Fixed bug for Adam's test file and added it to the test suite.
........
r915 | atenderholt | 2010-08-29 15:52:32 -0700 (Sun, 29 Aug 2010) | 2 lines
Gaussian parser: fix bug #3055615 dealing with atomnos not being parsed correctly (actually just not added to the Gaussian object). Created regression test.
........
r916 | atenderholt | 2010-09-19 17:33:03 -0700 (Sun, 19 Sep 2010) | 2 lines
ADF parser: minor modification in the section parsing fooverlaps. ADF versions > 2007 no longer print overlap information by default which caused the parser to abort with a ValueError. Slight re-arrangment and adding a check to see if Overlap is printed. Passes testall and regression, but still need to upload problematic file.
........
r917 | atenderholt | 2010-09-19 20:08:57 -0700 (Sun, 19 Sep 2010) | 2 lines
Added an ADF2009 file for the regression test.
........
r921 | baoilleach | 2010-12-17 08:42:41 -0800 (Fri, 17 Dec 2010) | 1 line
Firefly: Fix parsing of a geo-opt that fails. Added test file.
........
r922 | langner | 2011-01-03 07:06:56 -0800 (Mon, 03 Jan 2011) | 1 line
Applied patch to ORCA parser for bug #3077163 sent by Benjamin Stein.
........
r923 | langner | 2011-01-03 07:43:21 -0800 (Mon, 03 Jan 2011) | 1 line
Added co.out to regression files (taken from bug #3077163), and added ORCA parser to list of tested in regression.py. Also added ignore on some dirs with regression tests (ADF2009.01 and ORCA 2.8).
........
r924 | langner | 2011-01-10 06:34:15 -0800 (Mon, 10 Jan 2011) | 1 line
Merged atommasses for ADF parser (from Turbomole branch).
........
r925 | langner | 2011-01-13 17:41:22 -0800 (Thu, 13 Jan 2011) | 1 line
Reran dvb_gopt for ORCA2.6 with molecular orbital printing, eliminating two errors in the standard test suite.
........
Modified Paths:
--------------
branches/turbomoleparser/data/ORCA/basicORCA2.6/dvb_gopt.inp
branches/turbomoleparser/data/ORCA/basicORCA2.6/dvb_gopt.out
branches/turbomoleparser/data/regressionfiles.txt
branches/turbomoleparser/src/cclib/parser/adfparser.py
branches/turbomoleparser/src/cclib/parser/data.py
branches/turbomoleparser/src/cclib/parser/gamessparser.py
branches/turbomoleparser/src/cclib/parser/gaussianparser.py
branches/turbomoleparser/src/cclib/parser/orcaparser.py
branches/turbomoleparser/src/scripts/ccget
branches/turbomoleparser/test/regression.py
branches/turbomoleparser/test/testSP.py
Property Changed:
----------------
branches/turbomoleparser/
branches/turbomoleparser/data/ADF/
branches/turbomoleparser/data/ORCA/
This was sent by the SourceForge.net collaborative development platform, the world's largest Open Source development site.
|
