96fb05b18f
adding http for Tcl-related software
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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
10ff3aa50c
src-guib/ --> src/ change
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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
4177ec91fa
renaming TkPWscf.* --> PWgui.*
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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
10ad302ce6
udapting to src-guib/ to src/ change
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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
93c6ff11e7
changing --src to ../src
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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
2426f41548
simple enhancement
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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
676631f971
setting DEBUG/DEBUG_FILE to zero
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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
f1d0cf73d1
typo
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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
1a1771fd43
directory for cp.x is called CPV, not CP [Gerardo]
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@655 c92efa57-630b-4861-b058-cf58834340f0
2004-02-24 10:48:40 +00:00
eae2d2aab9
small bug fix for alpha [Gerardo]
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@654 c92efa57-630b-4861-b058-cf58834340f0
2004-02-24 10:41:58 +00:00
f722945328
uffa...
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@653 c92efa57-630b-4861-b058-cf58834340f0
2004-02-24 10:19:54 +00:00
d52a7aa7eb
Makefile goes bananas (again) if some directories are missing
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@652 c92efa57-630b-4861-b058-cf58834340f0
2004-02-24 09:48:24 +00:00
41dc2e673c
*** empty log message ***
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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
a98268f9a0
*** empty log message ***
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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
ea8c8188cf
adding don't delete file, so that lib/ directory will
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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
b7d24ed8f6
*** empty log message ***
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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
a90ace4fac
changing buttonbox labels for settings dialog
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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
cc7d844f82
adding initilaization (source init.itcl)
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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
d49ab1ebed
small change
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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
a447bd6e7f
adding defaultPager (i.e. PWgui pager)
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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
0f1f767182
adding defaultEditor (i.e. PWgui editor)
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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
fcaf31c6ba
more target descriptions
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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
10df2cbdc3
improving file
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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
da4fc7c37f
adapting file for non-unix OSes
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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
a16fa2290e
*** empty log message ***
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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
3df9cd6216
fixing ::tclu::_tempFile_name routine to work also for MS-Windows
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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
8a07a0c4db
adding guib.bat file
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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
7c0a3b40e3
Last minute fix plus some minor improvements.
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C.S.
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@636 c92efa57-630b-4861-b058-cf58834340f0
2004-02-23 09:36:13 +00:00
a9343d34b8
improving tempFile routine for Windows OS
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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
9bc313528d
*** empty log message ***
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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
710179c08f
*** empty log message ***
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@633 c92efa57-630b-4861-b058-cf58834340f0
2004-02-20 15:40:08 +00:00
e1739befad
*** empty log message ***
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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
626707d4ed
adapting to tkpwscf --> pwgui change
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@631 c92efa57-630b-4861-b058-cf58834340f0
2004-02-20 15:21:16 +00:00
67ed74a5e8
adapting to tkpwscf --> pwgui change
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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
0cee77cee0
More last-minute fixes...
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@629 c92efa57-630b-4861-b058-cf58834340f0
2004-02-20 09:56:53 +00:00
f982fa31a4
1. adding tar-gui target
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2. veryclean target: cleaning also the GUI
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@628 c92efa57-630b-4861-b058-cf58834340f0
2004-02-19 20:10:15 +00:00
578f3247bd
adding file
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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
005818ee70
added settings for alpha machines, contributed by Guido Roma [Gerardo]
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@626 c92efa57-630b-4861-b058-cf58834340f0
2004-02-19 16:06:36 +00:00
e37a462e6e
bug fixed, couldn't find blas sometimes [Gerardo]
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@625 c92efa57-630b-4861-b058-cf58834340f0
2004-02-19 14:51:23 +00:00
f4c819bf44
bug in for nspin=2
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@624 c92efa57-630b-4861-b058-cf58834340f0
2004-02-19 13:42:56 +00:00
9fd9192a92
*** empty log message ***
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@623 c92efa57-630b-4861-b058-cf58834340f0
2004-02-19 13:01:41 +00:00
b80dd0c13d
udapting the GUI to work with:
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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
659e8a81a5
*** empty log message ***
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@621 c92efa57-630b-4861-b058-cf58834340f0
2004-02-19 10:48:07 +00:00
c1608fd91e
More last-minute fixes - tag pw-2-0 added
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@620 c92efa57-630b-4861-b058-cf58834340f0
2004-02-19 10:11:24 +00:00
65c699f202
write to stdout.
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move reduce out of the loop
change PARA in __PARA
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@619 c92efa57-630b-4861-b058-cf58834340f0
2004-02-19 09:16:51 +00:00
bc5e66edc4
pw2casino (pw2muchcasino?)
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@618 c92efa57-630b-4861-b058-cf58834340f0
2004-02-18 18:33:00 +00:00
adc7521f95
more support for NEB and meta dynamics.
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I do not include NEB dynamics modules in this version,
because I want to wait for common neb modules,
to be built as soon as this version has been released
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@617 c92efa57-630b-4861-b058-cf58834340f0
2004-02-18 17:00:32 +00:00
7941cb1082
first parallel version (npool=1)
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produce one file by processor
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@616 c92efa57-630b-4861-b058-cf58834340f0
2004-02-18 16:38:13 +00:00
420c6b2cf9
Another fix for Berry Phase calculation with low symmetry
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@615 c92efa57-630b-4861-b058-cf58834340f0
2004-02-18 16:14:38 +00:00
384b771828
Berry-Phase calculation in parallel fixed for npool = 1,
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program stops if npool > 1. Misc doc updates
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@614 c92efa57-630b-4861-b058-cf58834340f0
2004-02-18 14:28:27 +00:00
kokalj