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425 Commits

Author SHA1 Message Date
kokalj 5954854b0c new enalred image for the pwgui splash screen 
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 
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 
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. 
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 
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 
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 
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 
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 
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 
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 
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, 
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 
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 
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 
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 ... 
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 
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. 
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) 
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 
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. 
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. 
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 
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 
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 
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 
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 
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 
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 
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 
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 
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 
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 ... 
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 ... 
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 
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 
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) 
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 
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 
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 
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 
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 
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. 
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 
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 
+ 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 
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 
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 
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 
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 
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) 
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 
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 
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 
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 *** 
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. 
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 
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 
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 
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 ... 
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 
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. 
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 
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 *** 
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 
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 
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 
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 
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 
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 
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/ 
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 
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 
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 
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 
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 
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" 
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 
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 *** 
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 
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 
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 
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 *** 
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 
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 
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 *** 
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 
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. 
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 
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 
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, 
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 ... 
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 
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 
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 
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 *** 
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 
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 *** 
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 
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... 
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 *** 
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 
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 *** 
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 *** 
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. 
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. 
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 
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. 
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 
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 
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 *** 
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 
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 
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 *** 
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 
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 *** 
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 
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 *** 
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) 
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 *** 
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 
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 
(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 
- 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 *** 
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 *** 
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 
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 
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 
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 
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 
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 
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 
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 *** 
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 *** 
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 
- 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 *** 
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 
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 *** 
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 *** 
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 
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 
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" 
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" 
- 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" 
- 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 *** 
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 
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 ..." 
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 
- 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 
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 
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 *** 
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. 
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. 
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". 
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 *** 
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) 
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 
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 
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 
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 
+ ::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 *** 
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 
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 
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 
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 
+ 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 *** 
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 *** 
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 
+ 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 
+ 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 
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 *** 
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 
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 
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 
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 *** 
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 
+ 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 
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 "-") 
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 
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 *** 
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 
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 *** 
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 
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 
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 
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 
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.* 
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 
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 
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 
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 
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 
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 *** 
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 *** 
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 
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 *** 
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 
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) 
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 
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) 
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) 
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 
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 
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 
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
kokalj a16fa2290e *** empty log message *** 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@639 c92efa57-630b-4861-b058-cf58834340f0
 2004-02-23 12:11:58 +00:00
kokalj 3df9cd6216 fixing ::tclu::_tempFile_name routine to work also for MS-Windows 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@638 c92efa57-630b-4861-b058-cf58834340f0
 2004-02-23 12:05:42 +00:00
kokalj 8a07a0c4db adding guib.bat file 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@637 c92efa57-630b-4861-b058-cf58834340f0
 2004-02-23 12:04:48 +00:00
kokalj a9343d34b8 improving tempFile routine for Windows OS 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@635 c92efa57-630b-4861-b058-cf58834340f0
 2004-02-23 09:32:06 +00:00
kokalj 9bc313528d *** empty log message *** 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@634 c92efa57-630b-4861-b058-cf58834340f0
 2004-02-23 09:31:08 +00:00
kokalj e1739befad *** empty log message *** 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@632 c92efa57-630b-4861-b058-cf58834340f0
 2004-02-20 15:33:45 +00:00
kokalj 67ed74a5e8 adapting to tkpwscf --> pwgui change 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@630 c92efa57-630b-4861-b058-cf58834340f0
 2004-02-20 15:16:00 +00:00
kokalj 578f3247bd adding file 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@627 c92efa57-630b-4861-b058-cf58834340f0
 2004-02-19 20:04:31 +00:00
kokalj b80dd0c13d udapting the GUI to work with: 
Tcl/Tk 8.4
   Itcl/Itk 3.2
   Iwidgets 4.0


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@622 c92efa57-630b-4861-b058-cf58834340f0
 2004-02-19 11:18:20 +00:00
kokalj 3f244e28ce adding the GUI (to start with see the GUI/README file) 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@612 c92efa57-630b-4861-b058-cf58834340f0
 2004-02-18 11:29:17 +00:00