Huub Van Dam
97f303e6f8
HvD: In the CVS era the $Id: $ tags in the source code files would
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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
b1dd70f954
html copied only in internal web
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added PDF link
2000-10-14 00:54:07 +00:00
Edoardo Apra
21ff59a1fe
pdflatex specific part isolate (was breaking late2xhtml)
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chapter inclusion moved from user.tex to main.tex
2000-06-20 01:11:22 +00:00
Bert de Jong
d611eadbf3
Updated veriosn and year + added nwchemmonth command for titlepage.
2000-06-12 20:14:57 +00:00
Tjerk Straatsma
d423dd9c86
Add file formats chapter
2000-05-24 20:57:35 +00:00
Tjerk Straatsma
a8457f0675
Documentation updates in analysis and md sections
2000-04-28 18:06:23 +00:00
Tjerk Straatsma
982b3cee47
Change order of chapters
2000-04-27 15:31:56 +00:00
Tjerk Straatsma
fe802c95f1
nwmd.tex
2000-04-27 15:30:00 +00:00
Bert de Jong
458ac25aa2
Added chapter for spin-orbit DFT. Chapter is directly after DFT, as it uses the DFT block itselves.
2000-04-24 22:05:09 +00:00
Edoardo Apra
9a9958afb5
removed extra pdftex lines
2000-02-04 22:03:56 +00:00
Edoardo Apra
0cb222ed10
added dplot info for gaussian cube output
2000-02-04 21:44:58 +00:00
Edoardo Apra
e3d836117b
changed preamble to Late2e standard
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added pdflatex output (type make pdf)
created zmatx.pdf with Adobe distiller
2000-02-04 02:38:04 +00:00
Kenneth Dyall
b89bd77b09
correct rel chapter heading
2000-01-25 20:51:49 +00:00
Bert de Jong
b14bc6fb1a
Added chapter rel.tex (relativistic approximations) to the main document structure.
1999-12-15 22:08:20 +00:00
Theresa Windus
c968b86633
Changed 3.3 to 3.3.1
1999-09-29 22:19:59 +00:00
Eric Bylaska
d2ed2f8a13
EJB added pspw.tex section
1999-07-16 23:12:59 +00:00
Robert Harrison
8758babc88
version number
1999-05-30 21:30:43 +00:00
Tjerk Straatsma
b479ffcf51
add analysis documentation
1999-05-28 19:55:44 +00:00
Robert Harrison
8500b9ab89
new chapter on use of Python
1999-05-10 18:31:59 +00:00
Ricky Kendall
0fbb20c674
fixed version numbers
1998-09-08 18:23:41 +00:00
Tjerk Straatsma
ebcfdf4431
Add documentation for the prepare module
1998-06-10 18:10:48 +00:00
Robert Harrison
df9a2f851b
nwchem version/date and SCF localization
1998-03-13 02:03:55 +00:00
Robert Harrison
4a88b4a5c8
new version number
1997-12-08 18:34:37 +00:00
Tjerk Straatsma
bd5c4d9c24
Add documentation for the ESP module
1997-10-07 17:35:54 +00:00
Robert Harrison
de4f751a0d
included Pawel's frame script for the documentation and updated the SCF, CCSD and MCSCF documentation to reality
1997-07-30 02:04:00 +00:00
Robert Harrison
327d86a436
fixed version number to 3.0
1997-06-20 14:22:26 +00:00
Maciej Gutowski
1c4f51c710
modifications to accomodate GAPSS
1997-06-01 20:36:06 +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
Maciej Gutowski
238203291b
openany commented out
1997-03-14 18:57:15 +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
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
6bd4723eb1
revised sectioning so that have only one section per file
1997-02-25 16:52:28 +00:00
Robert Harrison
4274d7ad27
MG's edits and some of JAN's
1997-02-25 05:59:13 +00:00
Ricky Kendall
5a65a08538
changes to include qmmm information
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rak
1997-02-24 19:42:05 +00:00
Ricky Kendall
c4d712472d
fixed dependencies in makefile. md.tex not included anywhere
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Ricky
1997-02-15 01:00:13 +00:00
Ricky Kendall
b650c311ef
mods to ecp, geometry, intro, makefile and top-level
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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
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
Judith M Cuta
706080b4d5
minor changes in section labels -- jmc
1997-01-15 21:29:40 +00:00
Judith M Cuta
83b6650e41
minor change to label -- jmc
1997-01-14 21:06:58 +00:00
Judith M Cuta
3133c4456f
minor change to section ordering -- JMC 1/3/97
1997-01-03 22:00:22 +00:00
David E Bernholdt
e2e38dcb82
Added documentation forcoupled cluster module
1996-12-13 02:45:48 +00:00
Ricky Kendall
e0c842de86
modification for ecp documentation
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rak
1996-10-29 00:21:31 +00:00
Robert Harrison
e4280b87e7
version number
1996-10-23 05:56:53 +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
Tjerk Straatsma
b58f117446
Included user documentation for the MD module.
1996-09-03 20:59:55 +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
