Commit graph

19 commits

Author SHA1 Message Date
Huub Van Dam
97f303e6f8 HvD: In the CVS era the $Id: $ tags in the source code files would
automatically be expanded to include useful information about the
checkin (including the file's revision number). With the switch over
to SVN this was lost because SVN only does this expansion if you 
explicitly ask for it (for every single file). 

I have added a script to the contrib directory that sets the appropriate
property to get SVN to do this expansion. This script will make it easy
to do this every time new source files are added. It is called
svn_expand_Id, the script contains some comments that explain the issue
and how it addresses this.  

This checkin sets this property for a subset of the relevant files
(trying to commit all files at once failed with svn crashing). 
In future the script will only affect those files for which the property
was not set before.
2010-10-29 18:04:21 +00:00
Vidhya Gurumoorthi
a8aff82626 Commented out writing the input file 2006-06-21 16:37:58 +00:00
Theresa Windus
aee37dcbc6 Going back to the old interface. 2006-06-13 16:50:03 +00:00
Theresa Windus
f152a19c4b Changes with the subgroups. This probably won't work with Venus at this point
and there are more changes needed for the updated interfaces.
2006-06-13 06:31:26 +00:00
Theresa Windus
898838b096 Modifications to make the Hessians really work and various other fixes to get
Venus working.
2006-02-08 16:43:16 +00:00
Yuri Alexeev
4e15a94067 added evaluate Hessian capability for VENUS 2005-01-31 19:41:22 +00:00
Yuri Alexeev
47bedb0ba2 Documentation on QM interface in VENUS 2005-01-31 19:31:48 +00:00
Yuri Alexeev
8d1609babf changes made by Pratima 2004-04-30 18:12:23 +00:00
Yuri Alexeev
ce1ea1fc47 added print control 2003-11-12 20:22:49 +00:00
Yuri Alexeev
c5e088b92f added b3lyp capability 2003-11-01 00:57:36 +00:00
Edoardo Apra
63da999131 errquizzzzzzzzzzzzzzzzzzzzzzzzzzzzzzzzzzzzzzzzzzzzzzzzzzzzzzzzzzzzzzzzzzzz 2003-10-28 21:48:40 +00:00
Marat Valiev
1b9c171b61 errquit changes 2003-10-25 00:45:22 +00:00
Yuri Alexeev
9f3496756f Increased memory limits 2003-10-09 23:57:05 +00:00
Yuri Alexeev
2cae062a38 Fixed bug (broadcast charge) and cleaned the code 2003-10-09 00:30:45 +00:00
Theresa Windus
d95b3c41ce Add interface for CCA work 2003-09-19 14:15:32 +00:00
Yuri Alexeev
b81f869f2b Compilation info for NWChem/VENUS 2003-06-23 17:54:39 +00:00
Yuri Alexeev
b3f6eeca0a Working version of interface with Venus. Many mods involved. 2003-06-20 23:53:30 +00:00
Theresa Windus
f27a5ada16 Fix units problem (always angstroms!!!!) 2003-04-18 22:27:17 +00:00
Theresa Windus
a781c1c014 Initial work on geninterface (made for Venus interface) 2003-03-31 23:16:56 +00:00