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
8cc629b3bf
fixed ch3cf3 zmatrix example
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orientation parameter seems to be completely ignored
2006-03-20 22:25:15 +00:00
Edoardo Apra
359433c84b
added CVS Ids
2004-04-22 04:50:29 +00:00
So Hirata
efaf5fdb30
Cosmetic changes --- fonts, typoes, and some minor errors are corrected.
2002-02-06 19:38:53 +00:00
Edoardo Apra
f135aac681
added some more stuff for periodic input
2000-12-04 22:13:05 +00:00
Edoardo Apra
9b3f9f823a
added some stuff for periodic systems
2000-12-01 03:34:41 +00:00
Theresa Windus
ae0d27aff5
Some mods to hopefully make the relativistic sections more user friendly.
2000-11-21 00:53:42 +00:00
Edoardo Apra
b1dd70f954
html copied only in internal web
...
added PDF link
2000-10-14 00:54:07 +00:00
Edoardo Apra
21ff59a1fe
pdflatex specific part isolate (was breaking late2xhtml)
...
chapter inclusion moved from user.tex to main.tex
2000-06-20 01:11:22 +00:00
Kenneth Dyall
e7032e68fb
Add note on basis set to finite nuclear size text
2000-06-06 20:26:21 +00:00
Edoardo Apra
e3d836117b
changed preamble to Late2e standard
...
added pdflatex output (type make pdf)
created zmatx.pdf with Adobe distiller
2000-02-04 02:38:04 +00:00
Theresa Windus
885d2d1ced
Added some information about the option of adding velocities.
2000-01-05 16:58:04 +00:00
Kenneth Dyall
7879939f0e
Add description of finite nucleus option in geometry input
1999-12-08 23:20:50 +00:00
Bert de Jong
5cee1e3f49
Added <integer k> for angle in ZCOORD input description.
1999-10-15 18:27:02 +00:00
Robert Harrison
f52f9a955b
misc. corrections mostly to out of date or plain wrong content
1999-07-30 01:51:44 +00:00
Theresa Windus
d6a94732f2
A couple of other fixes relating to autosym.
1999-07-22 00:00:11 +00:00
Theresa Windus
780048f147
Put in documentation for autosym.
1999-07-21 23:41:28 +00:00
Robert Harrison
6977b7b067
new driver; adjust for geom; formatting errors
1999-07-20 19:18:52 +00:00
Theresa Windus
9c28b6b55a
Add tolerance information to SYMMETRY directive
1999-06-22 00:00:38 +00:00
Theresa Windus
81e3f16dc6
Additional information relating the symmetry directive in the geometry
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compound directive.
1999-06-03 21:56:59 +00:00
Michel Dupuis
a4f82b37f7
.. description of -lst- input
1998-04-25 01:30:20 +00:00
Robert Harrison
063cdbd840
corrections and new info
1998-03-10 22:48:03 +00:00
Robert Harrison
5f5671dcaa
minor corrections; fixed several examples; clarified some wording
1998-03-07 02:11:49 +00:00
Robert Harrison
64465bd793
mundane compilation errors
1998-03-06 17:50:30 +00:00
Michel Dupuis
14b6cdbb48
making documentation current about freezing of internal coordinates.
1998-03-05 22:44:01 +00:00
Ricky Kendall
8f1ce3cc16
wordsmithing and corrections
1997-06-27 08:59:52 +00:00
Robert Harrison
1ca44c9983
compilation fixes and new title page
1997-05-02 20:38:59 +00:00
Robert Harrison
40f649425e
Frank
1997-04-27 23:29:10 +00:00
Robert Harrison
e47b380b4e
final updates from everyone and spell check.
1997-02-27 20:39:50 +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
Judith M Cuta
21edf920d9
some minor fixes to the lastest (2/24/97) version -- JMC
1997-02-24 22:54:34 +00:00
Robert Harrison
4e3e2b05da
Consistency for section headings, references, formatting fixes
1997-02-21 16:48:22 +00:00
Ricky Kendall
b650c311ef
mods to ecp, geometry, intro, makefile and top-level
...
ecp: revamped and more clear (I hope!)
geometry: charge change not specified for ecp's here
intro: removed analytic chemist -> chemist
makefile: added ecp.tex to source definition
top-level: added footnote regarding number of electrons in system and charge directive
refering the reader to the geometry section on charge input.
Ricky
1997-02-15 00:49:17 +00:00
Judith M Cuta
9ce6c7f26c
corrections after conference with Robert -- jmc
1997-02-03 19:49:05 +00:00
Robert Harrison
a08a711925
more corrections and additions, pictures for Zmatrices
1997-01-30 17:36:01 +00:00
Robert Harrison
be2e43170a
First round of corrections to Judi's modifications
1997-01-28 02:08:31 +00:00
vg038
1895dbca9b
corrected some Z-matrix stuff, tried to make it more readable
1997-01-15 01:13:59 +00:00
Judith M Cuta
b33a067cdf
minor revisions of previous version; author still needs to check this -- jmc
1997-01-14 21:11:49 +00:00
Judith M Cuta
1dd9b11940
editing and (some) typos corrected -- JMC 1/3/97
1997-01-03 20:58:40 +00:00
Judith M Cuta
45fb135998
corrected some typos; no real change from previous verion. -- jmc
1996-12-04 19:18:44 +00:00
Ricky Kendall
44e1c8792d
fixed latex errors only from cuta check in of garbage latex
1996-11-27 08:29:29 +00:00
Judith M Cuta
3bba9dc652
added a few more corrections, for clarity -- jmcuta 11/26/96
1996-11-26 18:39:15 +00:00
Judith M Cuta
5ff7895471
substantial rewrite of this section; please check for correctness,
...
and to answer imbedded questions. -- JM Cuta 11/22/96
1996-11-22 20:32:03 +00:00
Ricky Kendall
e0c842de86
modification for ecp documentation
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rak
1996-10-29 00:21:31 +00:00
vg038
63bd560c5e
Added Z-matrix and frozen atoms input
1996-10-25 01:19:46 +00:00
Robert Harrison
0c81158610
more symmetry examples, reoordered sections, tried to make the intro more readable, made sure examples run
1996-09-20 15:11:27 +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
