kokalj
4f4e005827
slight look&feel layout improvement
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@6727 c92efa57-630b-4861-b058-cf58834340f0
2010-05-05 09:32:36 +00:00
kokalj
ec48d51b3d
correcting the typo: meterials->materials
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@6726 c92efa57-630b-4861-b058-cf58834340f0
2010-05-05 08:46:02 +00:00
kokalj
c415753d52
updating help file according to recent INPUT_**.def changes
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@6723 c92efa57-630b-4861-b058-cf58834340f0
2010-05-04 16:03:13 +00:00
kokalj
9651bd01a3
a few small documentation-style updates
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@6720 c92efa57-630b-4861-b058-cf58834340f0
2010-05-04 14:20:15 +00:00
kokalj
8f14c0709d
new welcome screen image
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@6719 c92efa57-630b-4861-b058-cf58834340f0
2010-05-04 14:16:40 +00:00
kokalj
dbe01d3ee8
adding help menuitem "About PWgui"
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@6718 c92efa57-630b-4861-b058-cf58834340f0
2010-05-04 14:14:47 +00:00
kokalj
98bc49c432
ld1.x (atomic) PWgui module updated
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@6717 c92efa57-630b-4861-b058-cf58834340f0
2010-05-04 12:38:27 +00:00
kokalj
88dcc1f338
ph.x PWgui module updated
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(obsolete variables deleted new variables added)
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@6716 c92efa57-630b-4861-b058-cf58834340f0
2010-05-04 11:51:56 +00:00
kokalj
dbe0899da9
adding options plot_num = 17,18
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@6715 c92efa57-630b-4861-b058-cf58834340f0
2010-05-04 11:34:22 +00:00
kokalj
cef56efac8
updating pp.x PWgui module
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(removing the z and dz remnants of stm_wfc_mathing)
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@6714 c92efa57-630b-4861-b058-cf58834340f0
2010-05-04 11:19:25 +00:00
kokalj
b8d741f945
image pwscf3.gif renamed to pwscf-logo.gif
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@6713 c92efa57-630b-4861-b058-cf58834340f0
2010-05-04 11:03:21 +00:00
kokalj
1c71f8cebe
pw.x module of PWgui updated
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@6712 c92efa57-630b-4861-b058-cf58834340f0
2010-05-04 11:02:34 +00:00
kokalj
1ca473ed81
minor "cosmetic" corrections and version update to 4.2
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@6711 c92efa57-630b-4861-b058-cf58834340f0
2010-05-04 10:59:04 +00:00
giannozz
6c6031ffde
PWGUI: obsolete variables removed
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@6674 c92efa57-630b-4861-b058-cf58834340f0
2010-04-28 12:39:20 +00:00
giannozz
d50cfb94d1
PWGUI: Added a few new input variables, removed several obsolete ones
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@6673 c92efa57-630b-4861-b058-cf58834340f0
2010-04-28 12:14:15 +00:00
giannozz
1bd3370701
Namelist &phonon and related variables removed from PWscf. It wasn't working
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any longer since a long time. Documentation and GUI updated (no warranty the
latter works). Further cleanup of nelec, neldw, nelup in the documentation
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@5968 c92efa57-630b-4861-b058-cf58834340f0
2009-09-24 19:44:04 +00:00
giannozz
0e77c4b427
"make doc" updated: user_guide.pdf no longer there
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@5898 c92efa57-630b-4861-b058-cf58834340f0
2009-09-07 14:59:03 +00:00
kokalj
f8b3e58785
the following tabs were renamed:
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"Lattice & Atomic data" --> "Lattice & Atoms"
"K-point data" --> "K-points"
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@5820 c92efa57-630b-4861-b058-cf58834340f0
2009-08-05 10:42:31 +00:00
kokalj
bb560ec40f
finally figured out how to do a
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mouse-wheel scrolling over a multiple widgets
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@5811 c92efa57-630b-4861-b058-cf58834340f0
2009-08-03 14:33:38 +00:00
kokalj
26c5e62fb8
oops
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@5810 c92efa57-630b-4861-b058-cf58834340f0
2009-08-03 14:22:43 +00:00
kokalj
c93fc8442e
Updating tclu and tku packages: finally figured out how to do a
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mouse-wheel scrolling over a multiple widgets.
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@5809 c92efa57-630b-4861-b058-cf58834340f0
2009-08-03 14:10:18 +00:00
kokalj
77f2201183
small update
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@5808 c92efa57-630b-4861-b058-cf58834340f0
2009-08-03 11:29:00 +00:00
kokalj
34ab8d8084
simplifying the makefile: majority of work is now done by
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toplevel "make doc" target and Doc/Makefile and doc-def/Makefile.
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@5807 c92efa57-630b-4861-b058-cf58834340f0
2009-08-03 11:24:18 +00:00
kokalj
d75288db51
fixing the hard-coded /usr/lib directory specification in debian's itcl/itk pkgIndex.tcl
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@5725 c92efa57-630b-4861-b058-cf58834340f0
2009-07-20 13:02:31 +00:00
kokalj
358ac4a98a
adding a pwgui's version number while creating a starkit's zip files
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@5724 c92efa57-630b-4861-b058-cf58834340f0
2009-07-20 10:46:54 +00:00
kokalj
e78d2a672c
small update
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@5723 c92efa57-630b-4861-b058-cf58834340f0
2009-07-20 10:45:10 +00:00
kokalj
a77d5e26f9
small update
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@5722 c92efa57-630b-4861-b058-cf58834340f0
2009-07-20 10:10:00 +00:00
kokalj
5ce8b0c9e7
Paolo noticed that newer ActiveTcl (versions 8.5 and 8.6) have been stripped off the many packages including Itcl. Therefore the ActiveTcl8.4 is the one that is good. Making an explicit notice in the INSTALL file.
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@5707 c92efa57-630b-4861-b058-cf58834340f0
2009-07-17 08:02:31 +00:00
kokalj
0b5fa8b60a
small update
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@5706 c92efa57-630b-4861-b058-cf58834340f0
2009-07-17 07:36:51 +00:00
kokalj
4ca1e7c3c6
small update
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@5705 c92efa57-630b-4861-b058-cf58834340f0
2009-07-17 07:30:37 +00:00
kokalj
630ec448e1
small update
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@5704 c92efa57-630b-4861-b058-cf58834340f0
2009-07-17 07:13:43 +00:00
kokalj
210542dda0
adopting to plot_num = 9, which is no longer in use
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@5703 c92efa57-630b-4861-b058-cf58834340f0
2009-07-17 07:13:10 +00:00
kokalj
02fd42f91c
oops
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@5702 c92efa57-630b-4861-b058-cf58834340f0
2009-07-16 17:00:45 +00:00
kokalj
4f4decafaa
several new features:
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- executables can now be specified by path only
- making ld1.x runable
- new xcrysden versions don't need XCRYSDEN_TOPDIR, but pwgui needs it to run xcrysden (for some specific reasons), Making a notification to the user is such case occurs
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@5701 c92efa57-630b-4861-b058-cf58834340f0
2009-07-16 16:58:45 +00:00
kokalj
37a3f8861b
updating
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@5700 c92efa57-630b-4861-b058-cf58834340f0
2009-07-16 16:56:40 +00:00
kokalj
a379c0fe05
corresting possible values for CI_scheme
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@5699 c92efa57-630b-4861-b058-cf58834340f0
2009-07-16 16:55:56 +00:00
kokalj
b8ddb59ab7
updating pw.x module
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@5698 c92efa57-630b-4861-b058-cf58834340f0
2009-07-16 15:05:26 +00:00
kokalj
8b0c0febb0
user_guide.tex is back to Doc/; making Makefile awa<re of it
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@5697 c92efa57-630b-4861-b058-cf58834340f0
2009-07-16 14:28:40 +00:00
kokalj
ba3ef739ad
deleting local copy of user guide: user_guide.tex is back to Doc/!
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@5696 c92efa57-630b-4861-b058-cf58834340f0
2009-07-16 14:25:34 +00:00
kokalj
257236f453
improved description
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@5329 c92efa57-630b-4861-b058-cf58834340f0
2008-12-05 09:31:01 +00:00
kokalj
1de6466957
updating the readme-files: in particular INSTALL files have been substantially shortened (hopefully its more understandable now)
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@5328 c92efa57-630b-4861-b058-cf58834340f0
2008-12-05 09:30:39 +00:00
kokalj
a079535b91
updating version to 4.1CVS
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@5327 c92efa57-630b-4861-b058-cf58834340f0
2008-12-05 08:33:59 +00:00
kokalj
17b735d9b5
one image file was not inluded in the tar.gz file, which prevented the source PWgui-VERSION.tar.gz file from working
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@5326 c92efa57-630b-4861-b058-cf58834340f0
2008-12-05 08:33:20 +00:00
kokalj
a396159e94
updating ...
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@5316 c92efa57-630b-4861-b058-cf58834340f0
2008-12-02 12:07:59 +00:00
kokalj
f128d7049c
adding kind of limited-support for mouse-wheel to scrolled notebook's pages
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@5315 c92efa57-630b-4861-b058-cf58834340f0
2008-12-02 12:07:29 +00:00
kokalj
c076745f6a
enlarged windows ... (tabnotebook & scrolledframe)
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@5314 c92efa57-630b-4861-b058-cf58834340f0
2008-12-02 12:03:49 +00:00
kokalj
0f9eb2d643
updating ...
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@5313 c92efa57-630b-4861-b058-cf58834340f0
2008-12-02 12:02:00 +00:00
kokalj
f980ca647d
updating pwgui's atomic module
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@5312 c92efa57-630b-4861-b058-cf58834340f0
2008-12-02 12:01:35 +00:00
kokalj
22341ee0a2
updating pwgui's ph.x module
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@5311 c92efa57-630b-4861-b058-cf58834340f0
2008-12-02 12:01:10 +00:00
kokalj
dbb43e1437
updating pwgui's pw.x module
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@5310 c92efa57-630b-4861-b058-cf58834340f0
2008-12-02 12:00:51 +00:00
kokalj
5954854b0c
new enalred image for the pwgui splash screen
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@5309 c92efa57-630b-4861-b058-cf58834340f0
2008-12-02 11:59:56 +00:00
kokalj
2bd4463ff4
enlarging a bit pwgui main window
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@5308 c92efa57-630b-4861-b058-cf58834340f0
2008-12-02 11:57:44 +00:00
kokalj
9fbc0f10f9
larger image for the pwgui splash screen
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@5307 c92efa57-630b-4861-b058-cf58834340f0
2008-12-02 11:57:12 +00:00
kokalj
1c8f390056
Attempt to synchronize PWgui version with QE version.
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Now the dev-tools/release.sh will assign to both QE and PWgui the same version, as specified by the VERSION variable in that script.
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@5306 c92efa57-630b-4861-b058-cf58834340f0
2008-11-28 21:02:25 +00:00
kokalj
5a0f64ef4f
clenup
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@5302 c92efa57-630b-4861-b058-cf58834340f0
2008-11-28 14:46:36 +00:00
kokalj
e5c4c03f27
improved cvsinit target: check for the existence of lib/ directory
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@5301 c92efa57-630b-4861-b058-cf58834340f0
2008-11-28 14:45:54 +00:00
kokalj
6d9d1f7f29
updated
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@5300 c92efa57-630b-4861-b058-cf58834340f0
2008-11-28 14:44:44 +00:00
kokalj
be764c119b
corrected handling of default file extension
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@5299 c92efa57-630b-4861-b058-cf58834340f0
2008-11-28 14:42:56 +00:00
kokalj
4950edd1eb
cleanup
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@5298 c92efa57-630b-4861-b058-cf58834340f0
2008-11-28 14:41:56 +00:00
kokalj
999d5fb2b5
cleanup
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@5295 c92efa57-630b-4861-b058-cf58834340f0
2008-11-26 14:44:41 +00:00
kokalj
16ddc6e3c9
cleanup
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@4964 c92efa57-630b-4861-b058-cf58834340f0
2008-06-02 13:22:09 +00:00
kokalj
4cc9abb108
Discarding Lorenzo's commit, which breaks things for non-CVS version of PWgui: in order to run CVS version of pwgui,
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one need to execute: cd O-sesame/GUI/PWgui; make cvsinit.
This will set things properly.
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@4963 c92efa57-630b-4861-b058-cf58834340f0
2008-06-02 13:21:07 +00:00
kokalj
ca20486ed1
adding a warning message if one tries to run an uninitialized CVS version of PWgui
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@4962 c92efa57-630b-4861-b058-cf58834340f0
2008-06-02 13:12:11 +00:00
kokalj
0641e1cab2
adding an explicit message to see INSTALL.cvs file for instuctions on how to run the CVS version of PWgui
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@4961 c92efa57-630b-4861-b058-cf58834340f0
2008-06-02 13:06:11 +00:00
kokalj
c006896e4f
cleanup
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@4960 c92efa57-630b-4861-b058-cf58834340f0
2008-06-02 12:50:28 +00:00
kokalj
6ad3c88006
updating ...
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@4959 c92efa57-630b-4861-b058-cf58834340f0
2008-06-02 12:50:07 +00:00
kokalj
aa7a419d2b
fixing bug spotted by Lorenzo concerning the widgets state for various type of k-points input
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@4958 c92efa57-630b-4861-b058-cf58834340f0
2008-06-02 12:49:29 +00:00
paulatto
42cce95773
Only setting the GUIB variable I was able to start PWgui.
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LP
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@4951 c92efa57-630b-4861-b058-cf58834340f0
2008-05-28 10:03:34 +00:00
kokalj
bd3c497b84
using user_guide.tex instead of user_guide.html (not everybody has gnuhtml2latex)
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@4927 c92efa57-630b-4861-b058-cf58834340f0
2008-05-15 05:51:39 +00:00
kokalj
5aac0cce0c
adopting to change of users-guide.tex to user_guide.html
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@4925 c92efa57-630b-4861-b058-cf58834340f0
2008-05-14 14:26:10 +00:00
kokalj
c83af91293
adopting makefile accordingly to users-guide.tex to user_guide.html transition.
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@4924 c92efa57-630b-4861-b058-cf58834340f0
2008-05-14 14:20:41 +00:00
kokalj
6e9e59a1e5
adding user_guide.html, which is a patched version of wiki's user-guide, Doc/user_guide.html, and a script for distiling it to simpler html.
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@4923 c92efa57-630b-4861-b058-cf58834340f0
2008-05-14 14:19:53 +00:00
kokalj
c2c219772b
removing old users-guide.tex in favor of wiki's user_guide.html
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@4922 c92efa57-630b-4861-b058-cf58834340f0
2008-05-14 14:16:28 +00:00
giannozz
5c70d1d79d
Minor correction
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@4914 c92efa57-630b-4861-b058-cf58834340f0
2008-05-13 16:40:57 +00:00
kokalj
6aae9f4599
updating
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@4895 c92efa57-630b-4861-b058-cf58834340f0
2008-05-08 19:01:53 +00:00
kokalj
73a6e3b262
removing chdens pwgui examples
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@4894 c92efa57-630b-4861-b058-cf58834340f0
2008-05-08 18:59:22 +00:00
kokalj
cfe032fe26
updating/synchronizing atomic module
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@4893 c92efa57-630b-4861-b058-cf58834340f0
2008-05-08 18:58:26 +00:00
kokalj
349d6222de
updating/synchronizing d3 module
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@4892 c92efa57-630b-4861-b058-cf58834340f0
2008-05-08 18:58:06 +00:00
kokalj
deae4e21ac
updating/synchronizing ph module
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@4891 c92efa57-630b-4861-b058-cf58834340f0
2008-05-08 18:57:48 +00:00
kokalj
7d5c91f599
updating/synchronizing pp module
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@4890 c92efa57-630b-4861-b058-cf58834340f0
2008-05-08 18:57:28 +00:00
kokalj
ecd5377b8c
updating/synchronizing projwfc module
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@4889 c92efa57-630b-4861-b058-cf58834340f0
2008-05-08 18:57:08 +00:00
kokalj
303a16f1ad
updating/synchronizing pw module
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@4888 c92efa57-630b-4861-b058-cf58834340f0
2008-05-08 18:56:36 +00:00
kokalj
dd9a930eba
small updates ...
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@4887 c92efa57-630b-4861-b058-cf58834340f0
2008-05-08 18:51:55 +00:00
kokalj
ba7ca00ca8
updating ...
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@4886 c92efa57-630b-4861-b058-cf58834340f0
2008-05-08 18:47:04 +00:00
kokalj
7fa9818593
updating guib examples
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@4885 c92efa57-630b-4861-b058-cf58834340f0
2008-05-08 18:46:37 +00:00
kokalj
4aee60113e
many (small) changes:
...
* gui.itcl: adding -wrap "option" to addHelp method.
* guibKeywords.tcl: adding grouphelp guib keyoword for specifying
a common help to a set of "grouped" variables.
* guib.tcl: modifying module guib's keyword: instead of object
name an object prefix is passed to routine and a unique
object name is then generated and returned (i.e. #auto no
more require).
* help.itcl: adding "helpdoc" format for help.
* making code compatible with Itcl namespace awareness (i.e. class
--> itcl::class, ...)
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@4884 c92efa57-630b-4861-b058-cf58834340f0
2008-05-08 18:44:37 +00:00
kokalj
278f0b93f9
adding storeModuleItems public method
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@4883 c92efa57-630b-4861-b058-cf58834340f0
2008-05-08 18:43:13 +00:00
kokalj
56f77584d7
updating custom tcl utility library (adding lineread rouutine)
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@4882 c92efa57-630b-4861-b058-cf58834340f0
2008-05-08 18:30:47 +00:00
kokalj
f3d72cf67e
small updates
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@4881 c92efa57-630b-4861-b058-cf58834340f0
2008-05-08 18:29:04 +00:00
kokalj
ab15c9263f
adding lsave_wfc variable
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@4865 c92efa57-630b-4861-b058-cf58834340f0
2008-05-05 15:03:02 +00:00
kokalj
ebc1397740
typo correction
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@4864 c92efa57-630b-4861-b058-cf58834340f0
2008-05-05 14:49:46 +00:00
kokalj
7ad0179979
updating custom tcl/tk utility library
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@4863 c92efa57-630b-4861-b058-cf58834340f0
2008-05-05 14:45:33 +00:00
kokalj
781f387997
updating custom tcltk utility lib
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@4744 c92efa57-630b-4861-b058-cf58834340f0
2008-03-13 09:47:15 +00:00
kokalj
f2842c8070
Adding lsym variable.
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@4728 c92efa57-630b-4861-b058-cf58834340f0
2008-02-29 08:27:31 +00:00
kokalj
41f8364982
cleanup
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@4727 c92efa57-630b-4861-b058-cf58834340f0
2008-02-29 08:27:04 +00:00
kokalj
31205d1de7
+ adopting Makefile to Paolo's deletiong of user-guide.tex
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+ adding pwscf.* and democritos.* images
+ adding users-guide.tex temporarily, so that the tar-gui
target of toplevel Makefile is not broken
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@4723 c92efa57-630b-4861-b058-cf58834340f0
2008-02-20 16:11:23 +00:00
kokalj
0a21ee4f36
cleanup
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@4714 c92efa57-630b-4861-b058-cf58834340f0
2008-02-18 18:27:56 +00:00
kokalj
224a86c9f1
adding veryclean target
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@4713 c92efa57-630b-4861-b058-cf58834340f0
2008-02-18 18:26:47 +00:00
kokalj
a5bdd71b24
improving procedure for starpacks creation
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@4712 c92efa57-630b-4861-b058-cf58834340f0
2008-02-18 18:25:54 +00:00
kokalj
fda4f5fec4
improving procedure for starpacks creation
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@4711 c92efa57-630b-4861-b058-cf58834340f0
2008-02-18 18:12:53 +00:00
kokalj
1906e975e4
mail.tcl.sh is now automatically created
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@4710 c92efa57-630b-4861-b058-cf58834340f0
2008-02-18 18:12:07 +00:00
kokalj
cd338670b6
simplified makefile (no more i386 binary targets, because of starpacks)
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@4709 c92efa57-630b-4861-b058-cf58834340f0
2008-02-18 18:10:35 +00:00
kokalj
ad45169def
small fix: version number updated to 0.9
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@4708 c92efa57-630b-4861-b058-cf58834340f0
2008-02-18 18:09:07 +00:00
kokalj
c2de1f67fe
preventing CVS dirs to be included into tgz archive
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@4707 c92efa57-630b-4861-b058-cf58834340f0
2008-02-18 18:07:24 +00:00
kokalj
f36213f98c
adpoting to new robodoc version
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@4706 c92efa57-630b-4861-b058-cf58834340f0
2008-02-18 18:06:30 +00:00
kokalj
476ca92bc1
Synchronising(updating) PWgui with QE 4.0cvs. For changes see files:
...
GUI/PWgui/ChangeLog and NEWS.
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@4705 c92efa57-630b-4861-b058-cf58834340f0
2008-02-15 18:41:35 +00:00
kokalj
969e963f63
Synchronising(updating) PWgui with QE 4.0cvs. For changes see files:
...
GUI/PWgui/ChangeLog and NEWS.
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@4704 c92efa57-630b-4861-b058-cf58834340f0
2008-02-15 18:26:38 +00:00
kokalj
e1c6bca90f
Synchronising(updating) PWgui with QE 4.0cvs. For changes see files:
...
GUI/PWgui/ChangeLog and NEWS.
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@4703 c92efa57-630b-4861-b058-cf58834340f0
2008-02-15 18:19:43 +00:00
kokalj
92756f91a0
*** empty log message ***
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@4702 c92efa57-630b-4861-b058-cf58834340f0
2008-02-15 18:12:40 +00:00
kokalj
a326f45f94
Synchronising(updating) PWgui with QE 4.0cvs. For changes see files:
...
GUI/PWgui/ChangeLog and NEWS.
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@4701 c92efa57-630b-4861-b058-cf58834340f0
2008-02-15 18:10:09 +00:00
kokalj
7fc13c151c
Synchronising(updating) PWgui with QE 4.0cvs. For changes see files:
...
GUI/PWgui/ChangeLog and NEWS.
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@4700 c92efa57-630b-4861-b058-cf58834340f0
2008-02-15 17:51:32 +00:00
kokalj
6eb7cf252b
Synchronising(updating) PWgui with QE 4.0cvs. For changes see files:
...
GUI/PWgui/ChangeLog and NEWS.
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@4699 c92efa57-630b-4861-b058-cf58834340f0
2008-02-15 17:30:05 +00:00
kokalj
b1f46c2783
Synchronising(updating) PWgui with QE 4.0cvs. For changes see files:
...
GUI/PWgui/ChangeLog and NEWS.
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@4698 c92efa57-630b-4861-b058-cf58834340f0
2008-02-15 17:09:19 +00:00
kokalj
e4e1f04258
Updating Guib to version 0.4: for changes see GUI/Guib/ChangeLog file.
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@4697 c92efa57-630b-4861-b058-cf58834340f0
2008-02-15 17:01:47 +00:00
giannozz
a7f8a2bb4c
Version number updated for the GUI as well
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@3253 c92efa57-630b-4861-b058-cf58834340f0
2006-07-07 08:17:48 +00:00
giannozz
a8b6cbf0d0
GUI for atromic code dl1.x updated
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@3138 c92efa57-630b-4861-b058-cf58834340f0
2006-05-26 13:50:32 +00:00
kokalj
f79f80406b
synchronizing PWgui modules with QE-3.1
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@3134 c92efa57-630b-4861-b058-cf58834340f0
2006-05-23 16:52:24 +00:00
kokalj
8772499ea1
updating ...
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@3133 c92efa57-630b-4861-b058-cf58834340f0
2006-05-23 16:42:44 +00:00
giannozz
1f4c45bd8e
References to chdens.x removed - there is still one left in run.itcl
...
I am not sure what should be done in that case
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@2661 c92efa57-630b-4861-b058-cf58834340f0
2005-12-28 15:12:09 +00:00
giannozz
54d84bf266
Reference to chdens.x removed
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@2660 c92efa57-630b-4861-b058-cf58834340f0
2005-12-28 15:08:23 +00:00
kokalj
fa96440cb1
updating the Makefile: the LaTeX-->HTML process was not perfect: the pwscf image was missing, and latex2html makes several annoying "mathend000#" markers in the html text. Using "sed" to get rid of these.
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@2489 c92efa57-630b-4861-b058-cf58834340f0
2005-11-18 07:59:36 +00:00
kokalj
4fc200673f
updating a bit the info
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@2488 c92efa57-630b-4861-b058-cf58834340f0
2005-11-18 07:14:52 +00:00
kokalj
4d97495037
the fe_step() dimension (for metadynamics) has not been linked
...
with the auxil-variable n_fe_step
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@2487 c92efa57-630b-4861-b058-cf58834340f0
2005-11-18 07:00:40 +00:00
kokalj
55d554cb86
*** empty log message ***
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@2482 c92efa57-630b-4861-b058-cf58834340f0
2005-11-15 08:56:21 +00:00
kokalj
0be390c795
adding guib's scale widget
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@2481 c92efa57-630b-4861-b058-cf58834340f0
2005-11-15 08:55:55 +00:00
kokalj
8427ac879d
improving some validators
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@2480 c92efa57-630b-4861-b058-cf58834340f0
2005-11-15 08:55:30 +00:00
kokalj
caabe8c403
updating CONSTRAINS card
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@2479 c92efa57-630b-4861-b058-cf58834340f0
2005-11-15 08:42:11 +00:00
kokalj
8fbd8ec3c2
updating the PWgui's PW module to refelct new input.
...
In particular:
- the noncolinear and constrained/fixed magnetization staff has been added (please check)
- the support for 'metadyn' type calculation has been added
(please check)
Not yet DONE: the gui cannot handle (yet) the new form of CONSTRANITS card.
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@2456 c92efa57-630b-4861-b058-cf58834340f0
2005-11-10 15:09:41 +00:00
giannozz
3a1ba12cd5
Version number updated
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@2315 c92efa57-630b-4861-b058-cf58834340f0
2005-10-20 12:28:43 +00:00
kokalj
e269b24d41
the ::tclu::scan proc is not exported anymore
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@2254 c92efa57-630b-4861-b058-cf58834340f0
2005-10-04 11:15:03 +00:00
kokalj
e71a593271
adding description for the pwgui-starkit-vfs target
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@2253 c92efa57-630b-4861-b058-cf58834340f0
2005-10-04 11:12:51 +00:00
kokalj
c8a2f31546
updating Makefile: doc/pwdocs/manual/ --> doc/pwdocs/users-guide/
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@2252 c92efa57-630b-4861-b058-cf58834340f0
2005-10-04 11:11:53 +00:00
kokalj
dd79cc4bc8
initialization stuf moved from pwscf.tcl to init.tcl
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@2234 c92efa57-630b-4861-b058-cf58834340f0
2005-09-26 11:58:36 +00:00
kokalj
c7343f7ad8
ActiveTcl WEB site update
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@2233 c92efa57-630b-4861-b058-cf58834340f0
2005-09-26 11:57:24 +00:00
kokalj
6f9bbaf7ea
improving atomic_coordinates validators
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@2232 c92efa57-630b-4861-b058-cf58834340f0
2005-09-26 11:56:16 +00:00
kokalj
f284f3724f
makefile improvement
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@2231 c92efa57-630b-4861-b058-cf58834340f0
2005-09-26 11:54:51 +00:00
kokalj
764f89e5b9
appplication --> application
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@2230 c92efa57-630b-4861-b058-cf58834340f0
2005-09-26 11:54:13 +00:00
kokalj
d9595867e9
"PWSCF User's guide" --> "User's Guide for Quantum-ESPRESSO"
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@2229 c92efa57-630b-4861-b058-cf58834340f0
2005-09-26 11:53:41 +00:00
kokalj
4f9420f22f
a few minor changes
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@2228 c92efa57-630b-4861-b058-cf58834340f0
2005-09-26 11:52:58 +00:00
kokalj
b8861f7530
*** empty log message ***
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@2227 c92efa57-630b-4861-b058-cf58834340f0
2005-09-26 11:47:54 +00:00
kokalj
9bb62f7e97
this file contains guib general-purpose utility functions
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@2226 c92efa57-630b-4861-b058-cf58834340f0
2005-09-26 11:44:41 +00:00
kokalj
28398172e8
adding -varscope option to "module" guib
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keyword.
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@2225 c92efa57-630b-4861-b058-cf58834340f0
2005-09-26 11:36:50 +00:00
kokalj
ceda91a77d
adding "::guib::GUI::addHelp cascade" passibility. Few
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other minor improvements.
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@2224 c92efa57-630b-4861-b058-cf58834340f0
2005-09-26 11:35:49 +00:00
kokalj
b2fbfb5099
*** empty log message ***
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@2223 c92efa57-630b-4861-b058-cf58834340f0
2005-09-26 11:33:22 +00:00
kokalj
6d5bbafb98
improving widgetName, toplevelName
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functions. tku::errorDialog and tku::warningDialog
deprecated, use tclu::errorDialog and
tclu::warningDialog instead. Adding tku::exitApp function.
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@2222 c92efa57-630b-4861-b058-cf58834340f0
2005-09-26 11:32:04 +00:00
kokalj
cd7d744f34
adding dummy and several functions for arguments
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manipulation
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@2221 c92efa57-630b-4861-b058-cf58834340f0
2005-09-26 11:29:06 +00:00
kokalj
17f0166216
*** empty log message ***
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@2220 c92efa57-630b-4861-b058-cf58834340f0
2005-09-26 11:26:55 +00:00
giannozz
34f3df5d19
Phonon GUI updated - some options still not implemented
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@2209 c92efa57-630b-4861-b058-cf58834340f0
2005-09-23 08:57:47 +00:00
sbraccia
e567949e11
GUI and documentation updated to reflect the new input.
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C.S.
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@2201 c92efa57-630b-4861-b058-cf58834340f0
2005-09-20 20:54:31 +00:00
giannozz
9fbc9e1930
Help completed for ld1 GUI
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@2197 c92efa57-630b-4861-b058-cf58834340f0
2005-09-20 10:35:26 +00:00
giannozz
d5a6125608
Updated
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@2180 c92efa57-630b-4861-b058-cf58834340f0
2005-09-14 17:25:57 +00:00
giannozz
7eb89d94fb
GUI updated to reflect new input of pp.x - chdens.x input removed,
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documentation (marginally) updated
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@2179 c92efa57-630b-4861-b058-cf58834340f0
2005-09-14 17:24:01 +00:00
kokalj
3ec36f88cd
Elaborating a bit on Paolo's coding. In particular, making pages and event handlers ...
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@2173 c92efa57-630b-4861-b058-cf58834340f0
2005-09-13 13:54:46 +00:00
giannozz
780b00cedd
First attempt, not yet completely working, of a GUI for the atomic code
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@2166 c92efa57-630b-4861-b058-cf58834340f0
2005-09-12 17:13:52 +00:00
giannozz
a5e875cfc9
GUI for chdens updated
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@2084 c92efa57-630b-4861-b058-cf58834340f0
2005-08-03 09:07:07 +00:00
giannozz
2f5f029137
manual => users-guide
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@2083 c92efa57-630b-4861-b058-cf58834340f0
2005-08-02 16:13:01 +00:00
kokalj
f63d6d3089
*** empty log message ***
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@1758 c92efa57-630b-4861-b058-cf58834340f0
2005-03-25 13:10:57 +00:00
kokalj
0469ecda81
Improvement of make: the standalone binaries can be now created much easier
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@1757 c92efa57-630b-4861-b058-cf58834340f0
2005-03-25 13:09:11 +00:00
degironc
edf7b807c1
*** empty log message ***
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@1753 c92efa57-630b-4861-b058-cf58834340f0
2005-03-24 13:26:42 +00:00
degironc
85c6033751
the help section for eangle1 and angle2 has been added
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@1752 c92efa57-630b-4861-b058-cf58834340f0
2005-03-24 12:58:30 +00:00
degironc
b6b65e70c4
my first elementary contibution to PWgui...
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nspin=4 in the non collinear case
starting_magnetization is dimesioned ntyp (not nat)
angle1 and angle2 can be defined in the non collinear case
SdG
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@1751 c92efa57-630b-4861-b058-cf58834340f0
2005-03-24 12:48:34 +00:00
kokalj
77e5f5d1fe
*** empty log message ***
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@1750 c92efa57-630b-4861-b058-cf58834340f0
2005-03-24 07:03:55 +00:00
kokalj
7555262b9c
adding wf_collect variable
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@1749 c92efa57-630b-4861-b058-cf58834340f0
2005-03-24 07:03:41 +00:00
kokalj
ed6be1e8f8
*** empty log message ***
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@1742 c92efa57-630b-4861-b058-cf58834340f0
2005-03-23 12:09:21 +00:00
kokalj
974cadffb7
*** empty log message ***
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@1741 c92efa57-630b-4861-b058-cf58834340f0
2005-03-23 11:34:59 +00:00
kokalj
99a1da4f27
Adding a "binary" (i.e. 0/1) validator.
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@1740 c92efa57-630b-4861-b058-cf58834340f0
2005-03-23 11:33:17 +00:00
kokalj
4aa30d5deb
Fixing a small bug in ::tclu::warningDialog.
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@1739 c92efa57-630b-4861-b058-cf58834340f0
2005-03-23 11:31:04 +00:00
kokalj
11d04d79f0
pp.x module slightly updated to syntax of PWscf-2.1.2
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@1738 c92efa57-630b-4861-b058-cf58834340f0
2005-03-23 11:25:27 +00:00
kokalj
0eda1671b2
Changing a bit the "Run" behaviour.
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@1737 c92efa57-630b-4861-b058-cf58834340f0
2005-03-23 11:22:31 +00:00
kokalj
b8b222e693
Updating module to syntax of PWscf-2.1.2
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@1736 c92efa57-630b-4861-b058-cf58834340f0
2005-03-23 09:52:42 +00:00
giannozz
5a8f290016
ttol => tolp : update documentation and GUI
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@1570 c92efa57-630b-4861-b058-cf58834340f0
2005-01-17 18:34:57 +00:00
kokalj
10c19374d6
*** empty log message ***
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@1568 c92efa57-630b-4861-b058-cf58834340f0
2005-01-17 11:50:56 +00:00
kokalj
8d25e42f5c
fixing regsub syntax bug
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@1567 c92efa57-630b-4861-b058-cf58834340f0
2005-01-17 11:47:01 +00:00
kokalj
116e66e35a
module updated to new projwfc.x syntax
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@1566 c92efa57-630b-4861-b058-cf58834340f0
2005-01-17 11:46:35 +00:00
kokalj
98e591a1a3
*** empty log message ***
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@1558 c92efa57-630b-4861-b058-cf58834340f0
2005-01-14 13:03:14 +00:00
cazzato
a6ad18850a
iswitch flag removed; appropriate flags (as lscf, lmd, lphonon, etc.) should be used
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in particular (modenum.ne.0) stands for iswitch = -4 now: is it OK?
unused show_memory routine also removed
documentation updated
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@1503 c92efa57-630b-4861-b058-cf58834340f0
2004-12-10 15:20:46 +00:00
giannozz
22404ce369
*** empty log message ***
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@1428 c92efa57-630b-4861-b058-cf58834340f0
2004-11-04 15:03:00 +00:00
kokalj
d81b6a7d3f
adding support for Gaussian cube-file
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@1324 c92efa57-630b-4861-b058-cf58834340f0
2004-09-20 09:17:40 +00:00
kokalj
8559558e01
*** empty log message ***
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@1321 c92efa57-630b-4861-b058-cf58834340f0
2004-09-20 07:37:51 +00:00
kokalj
f6b68b3016
improving nonblocking mechanism (adding "stdout" and "save" subcommands of nonblocking command)
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@1320 c92efa57-630b-4861-b058-cf58834340f0
2004-09-20 07:28:41 +00:00
kokalj
51cc5e80a2
*** empty log message ***
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@1319 c92efa57-630b-4861-b058-cf58834340f0
2004-09-20 07:24:55 +00:00
kokalj
af331b0cef
default dir for ::guib::widgets::Entrydirselect is $env(PWD) now
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@1318 c92efa57-630b-4861-b058-cf58834340f0
2004-09-20 07:24:32 +00:00
kokalj
5fd91396bc
- setting temporarily the width of help console to 700 pixels
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(can't get it work via guib.theme)
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@1317 c92efa57-630b-4861-b058-cf58834340f0
2004-09-20 07:22:54 +00:00
kokalj
14f2b3e97a
- save and saveAs methods are public now
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- adding "getSelected saveFile" queries
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@1316 c92efa57-630b-4861-b058-cf58834340f0
2004-09-20 07:20:03 +00:00
kokalj
27e86e996f
*** empty log message ***
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@1315 c92efa57-630b-4861-b058-cf58834340f0
2004-09-20 07:17:57 +00:00
kokalj
35f72edfeb
*** empty log message ***
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@1314 c92efa57-630b-4861-b058-cf58834340f0
2004-09-20 07:09:28 +00:00
kokalj
0b6a3e520a
initial version: support for "Run" menubutton
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@1313 c92efa57-630b-4861-b058-cf58834340f0
2004-09-20 07:08:34 +00:00
kokalj
c9575ec77e
adding "PWscf" settings for setting the path of PWscf executables
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@1312 c92efa57-630b-4861-b058-cf58834340f0
2004-09-20 07:06:49 +00:00
kokalj
c615d66815
adding "Run" menubutton and associated menus
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@1311 c92efa57-630b-4861-b058-cf58834340f0
2004-09-20 07:06:05 +00:00
kokalj
761e4fdd7a
adding runnable and runnableXC (=runnable+XCRYSDEN) support
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@1310 c92efa57-630b-4861-b058-cf58834340f0
2004-09-20 07:02:14 +00:00
kokalj
8d308dacf0
adding pwscf::settings array variables for PWscf executables
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@1309 c92efa57-630b-4861-b058-cf58834340f0
2004-09-20 06:50:16 +00:00
kokalj
da06dea1f1
adding ::pwscf::run namespace
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@1308 c92efa57-630b-4861-b058-cf58834340f0
2004-09-20 06:49:04 +00:00
kokalj
d1a12cc194
PWgui now requires Guib version 0.3 or later
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@1263 c92efa57-630b-4861-b058-cf58834340f0
2004-09-13 09:01:11 +00:00
kokalj
05d3d930cb
*** empty log message ***
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@1262 c92efa57-630b-4861-b058-cf58834340f0
2004-09-13 08:59:46 +00:00
kokalj
8f00fd61e4
*** empty log message ***
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@1261 c92efa57-630b-4861-b058-cf58834340f0
2004-09-13 08:49:16 +00:00
kokalj
a11390446c
- adding variable U_projector_type
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- some spelling corrections
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@1259 c92efa57-630b-4861-b058-cf58834340f0
2004-09-13 08:45:39 +00:00
kokalj
0e9d1c8466
*** empty log message ***
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@1258 c92efa57-630b-4861-b058-cf58834340f0
2004-09-13 08:42:03 +00:00
kokalj
664fbccc05
Table's checkbutton didn't display updated text upon
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variable's value change. Fixed by using -textvariable
option. The method _checkbuttonText not used anymore.
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@1257 c92efa57-630b-4861-b058-cf58834340f0
2004-09-13 08:41:27 +00:00
kokalj
aeb14e6a9c
*** empty log message ***
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@1239 c92efa57-630b-4861-b058-cf58834340f0
2004-09-04 09:42:35 +00:00
kokalj
db9ef3f283
*** empty log message ***
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@1238 c92efa57-630b-4861-b058-cf58834340f0
2004-09-04 08:36:44 +00:00