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
Edoardo Apra
ee09ba96c2
added scratchdisk keyword to limit disk usage on a per process base
2004-04-22 06:00:22 +00:00
Edoardo Apra
359433c84b
added CVS Ids
2004-04-22 04:50:29 +00:00
Edoardo Apra
dfb5b73c53
forgotten dollar sign
2004-04-17 02:30:02 +00:00
Edoardo Apra
36476f00fc
print "pair energies" works only in direct_mp2
2003-12-19 23:10:40 +00:00
Mahin Hackler
4067b745d2
Update for specifying atoms for freezing orbitals
2003-03-13 23:29:30 +00:00
So Hirata
efaf5fdb30
Cosmetic changes --- fonts, typoes, and some minor errors are corrected.
2002-02-06 19:38:53 +00:00
Robert Harrison
ca3eaa86b2
tight option replaces ao/mo tol
1999-09-29 22:03:57 +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 corrections mostly to out of date or plain wrong content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
20b80c8f70
modified frozen core data to be consistent with bug fix to geom_numcore
1998-07-08 23:25:48 +00:00
Robert Harrison
f2255a382b
corrections and new info
1998-03-10 22:54:36 +00:00
Robert Harrison
7b57b8b20b
minor typo
1997-08-08 06:27:07 +00:00
Robert Harrison
68c14b0567
updated documentation
1997-07-30 22:03:40 +00:00
Robert Harrison
e47b380b4e
final updates from everyone and spell check.
1997-02-27 20:39:50 +00:00
Robert Harrison
02b16a2e92
more corrections from people, adjusted layout of tables in argos
1997-02-27 01:11:10 +00:00
Robert Harrison
8965c01996
changed to book style, fixed angstroms
1997-02-25 20:34:49 +00:00
Robert Harrison
0475dc35b2
minor formatting, new MP2 section
1997-02-25 02:12:45 +00:00
Robert Harrison
4e3e2b05da
Consistency for section headings, references, formatting fixes
1997-02-21 16:48:22 +00:00
David E Bernholdt
0a78f964a0
Add 'fit min eval' for RI-MP2
1997-02-17 21:59:57 +00:00
Judith M Cuta
eadd17fad8
major revisions; author needs to check this -- jmc
1997-01-14 21:10:19 +00:00
Ricky Kendall
93fa0041d7
changed print options from 'option' to ``option'' since the
...
single quotes do not work in the NWChem input
rak
1996-10-29 00:44:06 +00:00
Ricky Kendall
e6d26b3c32
added continue directive information
...
rak
1996-10-21 19:13:13 +00:00
Robert Harrison
313811ac67
Cleaned up structure of directory and user manual; updated task and input information
1996-08-16 17:02:20 +00:00
