8f511f4edd
An issue with spacing caused the two floats to be adjacent to one another if they are sufficiently large, which causes q2r to crash when reading the files. Adding an additional space fixes this issue.
2020-11-29 20:49:26 +00:00
b3c2a5e222
updating PWgui to v.6.6
2020-07-20 21:14:55 +02:00
0c4a925546
forgot to register pwtk mode in qe-modes.el
2020-07-20 21:14:55 +02:00
5c688a3a44
updating QE-modes to version QE-6.6
2020-07-20 21:14:55 +02:00
536f454e14
Version number updated to 6.6
2020-07-17 09:32:53 +02:00
af580b5874
A few more changes so that "make gui" creates a functional PWgui.
2019-03-01 23:44:12 +01:00
8d4da95f68
Adding autogenerated qe-modes/ directory into repository, so that the
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QE tarballs will contain a functional QE-emacs-modes package.
2019-03-01 18:19:20 +01:00
7a8a7ffe09
Updating/synchronizing PWgui to version 6.4
2019-03-01 17:52:53 +01:00
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
Anton Kokalj