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161 Commits

Author SHA1 Message Date
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