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
Niri Govind
e04af14795
Added ZORA keywords and references to documentation
2007-12-10 20:39:27 +00:00
Edoardo Apra
c44693cb28
got rid of nbo
2004-10-29 21:42:16 +00:00
Edoardo Apra
0e99662c05
changes from 4.6 branch
2004-05-20 01:21:27 +00:00
Edoardo Apra
359433c84b
added CVS Ids
2004-04-22 04:50:29 +00:00
Lisa Pollack
6ee9cae3c0
note added that GAPSS no longer distributed with NWCHEM,
...
and GAPSS taken out of functionality section
2003-04-10 22:53:33 +00:00
So Hirata
a77e807150
TCE-generated CC, CI, MP mentioned as single-point functionalities.
2003-02-13 18:02:23 +00:00
Edoardo Apra
d005db58b1
removed reference to dead Columbus interface
2002-08-13 16:41:58 +00:00
So Hirata
8b73137859
A new chapter for CIS, TDHF, and TDDFT.
2002-06-21 17:24:01 +00:00
Theresa Windus
d29228ae07
Added PSPW and Band info
2002-02-28 22:12:40 +00:00
Theresa Windus
d77f92fa8f
Documentation changes to DIRDYVTST.
2002-02-13 21:14:37 +00:00
Theresa Windus
3473cbeab7
Changes to documentation based on the analytic hessians
2002-02-13 18:17:12 +00:00
So Hirata
efaf5fdb30
Cosmetic changes --- fonts, typoes, and some minor errors are corrected.
2002-02-06 19:38:53 +00:00
Theresa Windus
7225776786
Rearrange ala Bert
2000-12-04 21:28:13 +00:00
Theresa Windus
e7a4089e98
Update
2000-12-04 21:01:29 +00:00
Theresa Windus
077282c88e
Added COSMO capabilities.
2000-11-28 22:14:21 +00:00
Bert de Jong
22ace03318
Removed some typo's.
2000-11-10 21:51:41 +00:00
Bert de Jong
7e22333f31
Added relativistic functionality.
2000-11-09 18:49:37 +00:00
Theresa Windus
6ed6dd5eeb
Add SODFT and ONIOM.
2000-11-09 18:01:15 +00:00
Robert Harrison
f52f9a955b
misc. corrections mostly to out of date or plain wrong content
1999-07-30 01:51:44 +00:00
Robert Harrison
5f5671dcaa
minor corrections; fixed several examples; clarified some wording
1998-03-07 02:11:49 +00:00
Maciej Gutowski
69e9900a3b
modifications related to GAPSS
1997-07-12 00:06:47 +00:00
Robert Harrison
1ca44c9983
compilation fixes and new title page
1997-05-02 20:38:59 +00:00
Robert Harrison
e230189d83
frank
1997-04-28 01:40:31 +00:00
Robert Harrison
e5e2f1cb19
latest fixes and tweaks, including new example for multiple charge directives, revisions to driver documentation, syntax changes to argos documentation
1997-02-26 03:17:27 +00:00
Robert Harrison
8965c01996
changed to book style, fixed angstroms
1997-02-25 20:34:49 +00:00
Robert Harrison
4274d7ad27
MG's edits and some of JAN's
1997-02-25 05:59:13 +00:00
Robert Harrison
4e3e2b05da
Consistency for section headings, references, formatting fixes
1997-02-21 16:48:22 +00:00
Tjerk Straatsma
aaa40332e2
Four MD bullets: it is pouring now, and the singing stopped.
1997-02-21 00:31:52 +00:00
Robert Harrison
1135dbc8fd
expanded the detail per Judi converstation
1997-02-21 00:14:53 +00:00
Robert Harrison
be2e43170a
First round of corrections to Judi's modifications
1997-01-28 02:08:31 +00:00
