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
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
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
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
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
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
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
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
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
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
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
b8861f7530
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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
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
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
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
b2fbfb5099
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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
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
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
17f0166216
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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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
ed6be1e8f8
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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
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
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
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
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
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
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
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
10c19374d6
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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
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
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
98e591a1a3
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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
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
22404ce369
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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
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
giannozz