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
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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
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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.
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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
kokalj
c6b9e99b42
- update for PWscf 2.1
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@1237 c92efa57-630b-4861-b058-cf58834340f0
2004-09-04 08:31:05 +00:00
kokalj
6b7d982a23
- update for PWscf 2.1
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@1236 c92efa57-630b-4861-b058-cf58834340f0
2004-09-04 08:17:22 +00:00
kokalj
2b29f2a1fc
- adding support for "intermediate_image"
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@1235 c92efa57-630b-4861-b058-cf58834340f0
2004-09-04 08:14:22 +00:00
kokalj
e1875cc341
- adding support for "intermediate_image"
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- adding support for "CONSTRAINTS" card
- disabling the unused variables
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@1234 c92efa57-630b-4861-b058-cf58834340f0
2004-09-04 08:12:44 +00:00
kokalj
2151fd3cd3
- adding support for "intermediate_image"
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- grouping the unused variables
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@1233 c92efa57-630b-4861-b058-cf58834340f0
2004-09-04 08:08:24 +00:00
kokalj
fcbff7ad1b
*** empty log message ***
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@1232 c92efa57-630b-4861-b058-cf58834340f0
2004-09-04 08:01:32 +00:00
kokalj
21aa836b90
a widgetName proc is now a bit faster
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@1231 c92efa57-630b-4861-b058-cf58834340f0
2004-09-04 08:01:00 +00:00
kokalj
e5e4c7127e
the _loadDataCmd command is now evaluated as "eval", the _loadDataCmd cab be now of form "cmd arg arg ..."
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@1230 c92efa57-630b-4861-b058-cf58834340f0
2004-09-04 07:58:53 +00:00
kokalj
b1647c4e37
- adding a "scriptvar" support
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- adding _getAfterMappedWidget method (does not work properly yet)
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@1229 c92efa57-630b-4861-b058-cf58834340f0
2004-09-04 07:56:29 +00:00
kokalj
fa990da1e7
adding a "scriptvar" support
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@1228 c92efa57-630b-4861-b058-cf58834340f0
2004-09-04 07:55:10 +00:00
kokalj
1f42f672fe
a utility for putting PWgui on the web
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@1222 c92efa57-630b-4861-b058-cf58834340f0
2004-09-03 07:54:08 +00:00
kokalj
a723fda96a
*** empty log message ***
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@1221 c92efa57-630b-4861-b058-cf58834340f0
2004-09-03 07:53:01 +00:00
sbraccia
fd8458fe36
GUI has been updated to the new version of pwscf.
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C.S.
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@1203 c92efa57-630b-4861-b058-cf58834340f0
2004-09-02 08:10:20 +00:00
sbraccia
6cce802f9c
Makefile updated. C.S.
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@1175 c92efa57-630b-4861-b058-cf58834340f0
2004-08-26 11:17:51 +00:00
sbraccia
cf9d99457d
Fixed a bug concerning "make veryclean".
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C.S.
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@837 c92efa57-630b-4861-b058-cf58834340f0
2004-04-29 16:55:45 +00:00
kokalj
94f947f227
*** empty log message ***
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@789 c92efa57-630b-4861-b058-cf58834340f0
2004-04-06 14:40:05 +00:00
kokalj
5baad5e402
preparing for CONSTRAINTS card (code is still commented)
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@788 c92efa57-630b-4861-b058-cf58834340f0
2004-04-06 14:38:16 +00:00
kokalj
0d3dc13e7b
improving the readfilter proc
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@787 c92efa57-630b-4861-b058-cf58834340f0
2004-04-06 13:41:35 +00:00
kokalj
81bce94034
adding the readfilter proc
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@786 c92efa57-630b-4861-b058-cf58834340f0
2004-04-06 13:41:09 +00:00
kokalj
7fc4b2d15c
adding the readfilter
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@785 c92efa57-630b-4861-b058-cf58834340f0
2004-04-06 13:38:31 +00:00
kokalj
1d6f64ffc8
adding some readfilter utility functions for better support of the syntax-error handling mechanism for reading the input files
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+ ::pwscf::readFilter::findNamelists
+ ::pwscf::readFilter::findCards
+ ::pwscf::readFilter::findNamelistsAndCards
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@784 c92efa57-630b-4861-b058-cf58834340f0
2004-04-06 13:33:24 +00:00
kokalj
635dd591fc
*** empty log message ***
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@783 c92efa57-630b-4861-b058-cf58834340f0
2004-04-06 13:29:18 +00:00
kokalj
504bb30937
+ added readFileError and readFileWrongFormat methods
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@782 c92efa57-630b-4861-b058-cf58834340f0
2004-04-06 13:23:22 +00:00
kokalj
d49e255fa0
+ added readFileError and readFileWrongFormat method
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@781 c92efa57-630b-4861-b058-cf58834340f0
2004-04-06 13:22:43 +00:00
kokalj
ba764fc68e
added support for WRONG_FORMAT for _openInput method
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@780 c92efa57-630b-4861-b058-cf58834340f0
2004-04-06 13:21:48 +00:00
kokalj
289b7ea14a
+ adding warningDialog proc
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+ adding watchExec proc
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@779 c92efa57-630b-4861-b058-cf58834340f0
2004-04-06 13:20:38 +00:00
kokalj
821ecb57c8
*** empty log message ***
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@778 c92efa57-630b-4861-b058-cf58834340f0
2004-04-05 15:54:45 +00:00
kokalj
66f0be63cf
*** empty log message ***
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@777 c92efa57-630b-4861-b058-cf58834340f0
2004-04-05 13:56:28 +00:00
kokalj
a0902d1592
+ fixing typo minization -> minimization
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+ fixing help description of atomic_coordinates2
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@776 c92efa57-630b-4861-b058-cf58834340f0
2004-04-05 13:45:25 +00:00
kokalj
4fa3894a5e
+ fixing typo kmin ->k_min
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+ fixing help description of atomic_coordinates2
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@775 c92efa57-630b-4861-b058-cf58834340f0
2004-04-05 13:45:01 +00:00
kokalj
9f3831c6fc
makefile includes ../../Make.include
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@774 c92efa57-630b-4861-b058-cf58834340f0
2004-04-05 13:44:12 +00:00
kokalj
520809cec2
*** empty log message ***
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@773 c92efa57-630b-4861-b058-cf58834340f0
2004-04-05 13:43:05 +00:00
kokalj
1548f703e3
adding pwgui-starkit-vfs target
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@772 c92efa57-630b-4861-b058-cf58834340f0
2004-04-05 13:41:05 +00:00
kokalj
8b2301be94
adding a check if help's $ident is valid (method: moduleObj::help
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@771 c92efa57-630b-4861-b058-cf58834340f0
2004-04-05 13:39:11 +00:00
kokalj
ee81760a96
updating the file to include the starkit/starpack description
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@770 c92efa57-630b-4861-b058-cf58834340f0
2004-04-05 13:24:36 +00:00
kokalj
6eb97adf2a
*** empty log message ***
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@769 c92efa57-630b-4861-b058-cf58834340f0
2004-04-05 13:23:08 +00:00
kokalj
e479e8aef9
+ adding _openSyntaxError private method for handling syntax error during the input file read
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+ adding file-header
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@768 c92efa57-630b-4861-b058-cf58834340f0
2004-04-05 13:20:58 +00:00
kokalj
e8adb0912b
adding _openSyntaxError private method for handling syntax error during the input file read
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@767 c92efa57-630b-4861-b058-cf58834340f0
2004-04-05 13:20:15 +00:00
kokalj
06679ff877
veryclean target improved (adding "-")
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@755 c92efa57-630b-4861-b058-cf58834340f0
2004-03-31 11:42:30 +00:00
profeta
cf59494935
GUI freeze with empty namelist in PW input file
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@736 c92efa57-630b-4861-b058-cf58834340f0
2004-03-17 17:32:40 +00:00
kokalj
b1202b3077
*** empty log message ***
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@734 c92efa57-630b-4861-b058-cf58834340f0
2004-03-17 10:11:20 +00:00
kokalj
4cb252bb41
small bug in putsFlush proc
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@733 c92efa57-630b-4861-b058-cf58834340f0
2004-03-17 10:09:33 +00:00
kokalj
386ac3f1fb
*** empty log message ***
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@667 c92efa57-630b-4861-b058-cf58834340f0
2004-02-24 16:44:30 +00:00
kokalj
6881ee780a
adding install: target
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@666 c92efa57-630b-4861-b058-cf58834340f0
2004-02-24 16:38:28 +00:00
kokalj
a6ca71291f
improving package tarball targets
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@665 c92efa57-630b-4861-b058-cf58834340f0
2004-02-24 16:37:25 +00:00
kokalj
96fb05b18f
adding http for Tcl-related software
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@664 c92efa57-630b-4861-b058-cf58834340f0
2004-02-24 16:36:54 +00:00
kokalj
10ff3aa50c
src-guib/ --> src/ change
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@663 c92efa57-630b-4861-b058-cf58834340f0
2004-02-24 16:35:47 +00:00
kokalj
4177ec91fa
renaming TkPWscf.* --> PWgui.*
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@662 c92efa57-630b-4861-b058-cf58834340f0
2004-02-24 16:35:02 +00:00
kokalj
10ad302ce6
udapting to src-guib/ to src/ change
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@661 c92efa57-630b-4861-b058-cf58834340f0
2004-02-24 16:33:49 +00:00
kokalj
93c6ff11e7
changing --src to ../src
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@660 c92efa57-630b-4861-b058-cf58834340f0
2004-02-24 16:33:26 +00:00
kokalj
2426f41548
simple enhancement
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@659 c92efa57-630b-4861-b058-cf58834340f0
2004-02-24 16:32:59 +00:00
kokalj
676631f971
setting DEBUG/DEBUG_FILE to zero
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@658 c92efa57-630b-4861-b058-cf58834340f0
2004-02-24 16:32:20 +00:00
kokalj
f1d0cf73d1
typo
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@657 c92efa57-630b-4861-b058-cf58834340f0
2004-02-24 16:31:51 +00:00
kokalj
41dc2e673c
*** empty log message ***
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@651 c92efa57-630b-4861-b058-cf58834340f0
2004-02-23 12:32:21 +00:00
kokalj
a98268f9a0
*** empty log message ***
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@650 c92efa57-630b-4861-b058-cf58834340f0
2004-02-23 12:30:40 +00:00
kokalj
ea8c8188cf
adding don't delete file, so that lib/ directory will
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be always checked-out
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@649 c92efa57-630b-4861-b058-cf58834340f0
2004-02-23 12:27:50 +00:00
kokalj
b7d24ed8f6
*** empty log message ***
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@648 c92efa57-630b-4861-b058-cf58834340f0
2004-02-23 12:19:48 +00:00
kokalj
a90ace4fac
changing buttonbox labels for settings dialog
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@647 c92efa57-630b-4861-b058-cf58834340f0
2004-02-23 12:19:39 +00:00
kokalj
cc7d844f82
adding initilaization (source init.itcl)
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@646 c92efa57-630b-4861-b058-cf58834340f0
2004-02-23 12:16:26 +00:00
kokalj
d49ab1ebed
small change
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@645 c92efa57-630b-4861-b058-cf58834340f0
2004-02-23 12:15:50 +00:00
kokalj
a447bd6e7f
adding defaultPager (i.e. PWgui pager)
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@644 c92efa57-630b-4861-b058-cf58834340f0
2004-02-23 12:15:10 +00:00
kokalj
0f1f767182
adding defaultEditor (i.e. PWgui editor)
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@643 c92efa57-630b-4861-b058-cf58834340f0
2004-02-23 12:14:43 +00:00
kokalj
fcaf31c6ba
more target descriptions
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@642 c92efa57-630b-4861-b058-cf58834340f0
2004-02-23 12:13:32 +00:00
kokalj
10df2cbdc3
improving file
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@641 c92efa57-630b-4861-b058-cf58834340f0
2004-02-23 12:13:07 +00:00
kokalj
da4fc7c37f
adapting file for non-unix OSes
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@640 c92efa57-630b-4861-b058-cf58834340f0
2004-02-23 12:12:34 +00:00