417c1a385a
explicitly stating fro which QE progs the 'M-x prog-insert-template' command is available
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@13882 c92efa57-630b-4861-b058-cf58834340f0
2017-09-28 10:44:59 +00:00
c37c878ade
adding input templates for ph.x, dynmat.x, and ld1.x
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@13881 c92efa57-630b-4861-b058-cf58834340f0
2017-09-28 10:43:29 +00:00
a55a64125f
version set to 6.2
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@13867 c92efa57-630b-4861-b058-cf58834340f0
2017-09-26 11:40:38 +00:00
4ec8168d1c
small improvements
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@13864 c92efa57-630b-4861-b058-cf58834340f0
2017-09-26 10:41:50 +00:00
08f2f4ba47
fixing make.inc problem, which does not always exist and the non-existence prevents the "clean" targets from working
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@13863 c92efa57-630b-4861-b058-cf58834340f0
2017-09-26 10:05:57 +00:00
fbd30721b7
make.sys --> make.inc
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@13861 c92efa57-630b-4861-b058-cf58834340f0
2017-09-26 09:38:22 +00:00
848a76d3c9
disabling the module for no-longer-existing d3.x
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@13860 c92efa57-630b-4861-b058-cf58834340f0
2017-09-26 09:34:15 +00:00
11590b17ad
updating wellcome image
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@13859 c92efa57-630b-4861-b058-cf58834340f0
2017-09-26 09:27:40 +00:00
c20436ab82
updating ph.x PWgui module (asr + help file)
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@13857 c92efa57-630b-4861-b058-cf58834340f0
2017-09-26 08:35:50 +00:00
d64c83f70b
updating ...
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@13856 c92efa57-630b-4861-b058-cf58834340f0
2017-09-26 08:16:56 +00:00
3a1c9c7065
updating pw.x PWgui module (mainly gate options and starting_charge)
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@13855 c92efa57-630b-4861-b058-cf58834340f0
2017-09-26 07:47:57 +00:00
648becab06
Adopting to new versions of itk-4.*.
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This change should, hopefully, enable pwgui to work for both older Itl-3.* and newer itk-4.*.
problem reported by Yuta Yoshikawa
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@13591 c92efa57-630b-4861-b058-cf58834340f0
2017-07-10 14:22:53 +00:00
90f7b55292
Fix to work on the machine I use to generate a release
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@13368 c92efa57-630b-4861-b058-cf58834340f0
2017-03-02 22:47:00 +00:00
5183504b34
small changes
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@13357 c92efa57-630b-4861-b058-cf58834340f0
2017-02-24 15:17:55 +00:00
e140c95d0a
updating version to 6.1 in wellcome image
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@13356 c92efa57-630b-4861-b058-cf58834340f0
2017-02-24 15:07:46 +00:00
56bc5c969c
updating
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@13355 c92efa57-630b-4861-b058-cf58834340f0
2017-02-24 15:02:41 +00:00
acb1ca0977
version update
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@13354 c92efa57-630b-4861-b058-cf58834340f0
2017-02-24 14:54:15 +00:00
4a3fdba853
updating
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@13353 c92efa57-630b-4861-b058-cf58834340f0
2017-02-24 14:49:55 +00:00
e71ffa17fc
adding lshift_q variable and new options for electron_phonon
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@13349 c92efa57-630b-4861-b058-cf58834340f0
2017-02-24 14:17:35 +00:00
469b2273c9
updating options for occupations variable
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@13348 c92efa57-630b-4861-b058-cf58834340f0
2017-02-24 14:06:13 +00:00
78236f99eb
updating pp.x PWgui modeule to cope with new LDOS and "|psi^2| "grid" options
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@13347 c92efa57-630b-4861-b058-cf58834340f0
2017-02-24 13:57:53 +00:00
7883656073
bug fix of "tclu::scan"; the number count of conversions was not always correct
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@13278 c92efa57-630b-4861-b058-cf58834340f0
2017-01-26 19:02:32 +00:00
451e78d387
"title" variable was not defined as string variable
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@13277 c92efa57-630b-4861-b058-cf58834340f0
2017-01-26 18:58:28 +00:00
3983c50256
updating
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@13276 c92efa57-630b-4861-b058-cf58834340f0
2017-01-26 18:54:36 +00:00
1ae3e3342c
smallish
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@13275 c92efa57-630b-4861-b058-cf58834340f0
2017-01-26 18:54:20 +00:00
1247ceb314
using the new parser for the fortran namelists; implicit 1D array
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assignments are now supported to cope with recent changes of pp.x,
e.g. "kband = 10 11" syntax is now parsed correctly
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@13274 c92efa57-630b-4861-b058-cf58834340f0
2017-01-26 18:53:41 +00:00
1667df77ea
new method _openNamelistAssignVars instead of _openReadNamelistVar, _openReadNamelistValue
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@13273 c92efa57-630b-4861-b058-cf58834340f0
2017-01-26 18:49:53 +00:00
5170488c06
much better Tcl parser for the Fortran namelist
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@13272 c92efa57-630b-4861-b058-cf58834340f0
2017-01-26 18:48:33 +00:00
71d0333707
more descriptive reporting of input syntax error
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@13244 c92efa57-630b-4861-b058-cf58834340f0
2017-01-11 12:44:44 +00:00
932f03d1fd
bug fix: fatal typo for older versions of tcllib
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(spotted by Afshin Arjangmehr)
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@13101 c92efa57-630b-4861-b058-cf58834340f0
2016-10-10 08:50:05 +00:00
be4678081c
text "cosmetics"
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@13074 c92efa57-630b-4861-b058-cf58834340f0
2016-10-03 08:50:18 +00:00
e286faece8
hopefully more clear description of what's in GUI directory
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@13069 c92efa57-630b-4861-b058-cf58834340f0
2016-10-02 19:00:52 +00:00
02dea63382
typo correction
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@13060 c92efa57-630b-4861-b058-cf58834340f0
2016-10-02 10:20:46 +00:00
72c47962e8
better regexp for namelists
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@12805 c92efa57-630b-4861-b058-cf58834340f0
2016-08-19 15:30:03 +00:00
8e88065815
better regexp for namelists
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@12804 c92efa57-630b-4861-b058-cf58834340f0
2016-08-19 15:29:37 +00:00
6f103fff47
version number in wellcome picture updated to 6.0
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@12803 c92efa57-630b-4861-b058-cf58834340f0
2016-08-19 15:27:29 +00:00
8fae424b09
updating the pw.x module:
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- defining new variables
- improving somewhat the layout of variables in gui
- more event-driven mechanism
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@12802 c92efa57-630b-4861-b058-cf58834340f0
2016-08-19 15:26:08 +00:00
efa1e9a1c1
enhancing the treatment of dvscf_star and drho_star fortran structures
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@12801 c92efa57-630b-4861-b058-cf58834340f0
2016-08-19 15:23:18 +00:00
d6b49dd074
updating ...
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@12796 c92efa57-630b-4861-b058-cf58834340f0
2016-08-18 19:00:31 +00:00
f265a0ee8a
updating ...
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@12795 c92efa57-630b-4861-b058-cf58834340f0
2016-08-18 18:59:42 +00:00
de71da0cb3
updating ...
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@12794 c92efa57-630b-4861-b058-cf58834340f0
2016-08-18 18:58:55 +00:00
843b84bcfb
updating ...
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@12793 c92efa57-630b-4861-b058-cf58834340f0
2016-08-18 18:58:07 +00:00
e83c2b8fe4
updating the PWgui's dos.x module
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@12792 c92efa57-630b-4861-b058-cf58834340f0
2016-08-18 18:57:40 +00:00
a335999f39
updating the PWgui's projwfc.x module
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@12791 c92efa57-630b-4861-b058-cf58834340f0
2016-08-18 18:56:52 +00:00
10d7265d2b
updating the PWgui's pp.x module
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@12790 c92efa57-630b-4861-b058-cf58834340f0
2016-08-18 18:55:57 +00:00
a4b6ec46d7
PWgui version of SVN sources is always "svn"
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("make pwgui-source" makes the tarball with correct VERSION when called from the QE release.sh script)
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@12789 c92efa57-630b-4861-b058-cf58834340f0
2016-08-18 18:54:23 +00:00
c25945217d
updating the QE-modes user guide, i.e., adding the neb-mode description
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@12700 c92efa57-630b-4861-b058-cf58834340f0
2016-08-09 16:53:21 +00:00
7031ff0561
adding support for supercards; the neb.x supercards will be now recognized by QE-modes
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@12699 c92efa57-630b-4861-b058-cf58834340f0
2016-08-09 16:43:12 +00:00
d2477f9ae8
adding support for supercards; the neb.x supercards will be now recognized by QE-modes
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@12698 c92efa57-630b-4861-b058-cf58834340f0
2016-08-09 16:18:46 +00:00
d73b1ecb3d
making the correct single quotes in verbatim mode
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@12648 c92efa57-630b-4861-b058-cf58834340f0
2016-08-02 16:25:55 +00:00
kokalj