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324 Commits

Author SHA1 Message Date
kokalj a5825065a7 * adopting to new CELL_PARAMETERS options alat|bohr|angstroms 
* several stylistic improvements


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@8994 c92efa57-630b-4861-b058-cf58834340f0
 2012-05-14 10:40:59 +00:00
kokalj 930c9af388 cleanup 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@8990 c92efa57-630b-4861-b058-cf58834340f0
 2012-05-13 21:10:47 +00:00
kokalj af9ecd0182 version update 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@8989 c92efa57-630b-4861-b058-cf58834340f0
 2012-05-13 21:10:01 +00:00
kokalj b1b5e48163 updating help for PWgui's module dos.x 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@8988 c92efa57-630b-4861-b058-cf58834340f0
 2012-05-13 21:06:28 +00:00
kokalj 9b2cef8afd updating PWgui's module pp.x (ibrav=9, reduced density gradient) 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@8987 c92efa57-630b-4861-b058-cf58834340f0
 2012-05-13 21:05:47 +00:00
kokalj 4e1265c81b updating PWgui's module atomic 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@8986 c92efa57-630b-4861-b058-cf58834340f0
 2012-05-13 21:04:36 +00:00
kokalj 43860fe056 updating PWgui's module ph.x (mainly dvscf_star & drho_star structures) 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@8985 c92efa57-630b-4861-b058-cf58834340f0
 2012-05-13 21:04:01 +00:00
kokalj 98148144b7 updating PWgui's module pw.x (mainly EXX variables) 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@8984 c92efa57-630b-4861-b058-cf58834340f0
 2012-05-13 21:02:17 +00:00
kokalj d27da279cb adding support for ibrav=-5 and -12 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@8574 c92efa57-630b-4861-b058-cf58834340f0
 2012-02-03 07:41:32 +00:00
kokalj 8267ae39f0 updating ... 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@8534 c92efa57-630b-4861-b058-cf58834340f0
 2012-01-23 11:29:07 +00:00
kokalj 847a50e044 updating 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@8533 c92efa57-630b-4861-b058-cf58834340f0
 2012-01-23 11:25:11 +00:00
kokalj f0f92be0bc cleanup 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@8531 c92efa57-630b-4861-b058-cf58834340f0
 2012-01-23 11:15:15 +00:00
kokalj 846c7fd084 cleanup 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@8530 c92efa57-630b-4861-b058-cf58834340f0
 2012-01-23 11:14:42 +00:00
kokalj 1fae7a95d0 adding bands.x and dos.x modules to pwgui 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@8528 c92efa57-630b-4861-b058-cf58834340f0
 2012-01-23 11:13:00 +00:00
kokalj 3bc07f7abf adding bands.x and dos.x modules to pwgui 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@8527 c92efa57-630b-4861-b058-cf58834340f0
 2012-01-23 11:12:29 +00:00
kokalj 701bbf4106 adding bands.x and dos.x modules to pwgui 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@8526 c92efa57-630b-4861-b058-cf58834340f0
 2012-01-23 11:12:10 +00:00
kokalj 523ef2f721 adding bands.x and dos.x modules to pwgui 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@8525 c92efa57-630b-4861-b058-cf58834340f0
 2012-01-23 11:09:45 +00:00
kokalj 14327147c4 updating ... 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@8516 c92efa57-630b-4861-b058-cf58834340f0
 2012-01-20 15:31:47 +00:00
kokalj c3704705ea updating welcome image 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@8514 c92efa57-630b-4861-b058-cf58834340f0
 2012-01-20 13:27:46 +00:00
kokalj 18b9af80be bugfixing -expand option without a value 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@8510 c92efa57-630b-4861-b058-cf58834340f0
 2012-01-20 13:15:12 +00:00
kokalj 19da0e969a updating ld1.x's gui 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@8509 c92efa57-630b-4861-b058-cf58834340f0
 2012-01-20 13:13:55 +00:00
kokalj 01bce5f684 updating projwfc.x's gui 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@8507 c92efa57-630b-4861-b058-cf58834340f0
 2012-01-20 13:12:55 +00:00
kokalj 4a1e69c402 updating ph.x's gui 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@8506 c92efa57-630b-4861-b058-cf58834340f0
 2012-01-20 13:12:20 +00:00
kokalj fbcc651a6f updating pw.x's gui 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@8505 c92efa57-630b-4861-b058-cf58834340f0
 2012-01-20 13:11:48 +00:00
kokalj 65d8199ff1 adopting to new documentation changes 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@8504 c92efa57-630b-4861-b058-cf58834340f0
 2012-01-20 13:11:06 +00:00
kokalj f5d4ce2df6 chaning INPUTPP --> PROJWFC 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@8503 c92efa57-630b-4861-b058-cf58834340f0
 2012-01-20 13:10:10 +00:00
kokalj 363b37a796 adding a few atomic examples 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@8502 c92efa57-630b-4861-b058-cf58834340f0
 2012-01-20 13:08:21 +00:00
kokalj fb3e0c3b20 adding neb.dat example file 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@8501 c92efa57-630b-4861-b058-cf58834340f0
 2012-01-20 12:49:10 +00:00
kokalj 95e1c9709f textually replacing cvs to svn 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@7843 c92efa57-630b-4861-b058-cf58834340f0
 2011-06-08 06:38:08 +00:00
kokalj d3cb1f9834 textually replacing cvs to svn 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@7842 c92efa57-630b-4861-b058-cf58834340f0
 2011-06-08 06:37:14 +00:00
kokalj c13ae4d909 textually replacing cvs to svn 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@7841 c92efa57-630b-4861-b058-cf58834340f0
 2011-06-08 06:36:53 +00:00
kokalj 7c5142c82e textually replacing cvs to svn 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@7840 c92efa57-630b-4861-b058-cf58834340f0
 2011-06-08 06:36:28 +00:00
kokalj d7b7dd764e renaming INSTALL.cvs to INSTALL.svn and textually replacing cvs to svn 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@7839 c92efa57-630b-4861-b058-cf58834340f0
 2011-06-08 06:29:24 +00:00
kokalj 2a0e0615fa no more needed (use the $TOPDIR/dev-tools/check_gui instead) 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@7673 c92efa57-630b-4861-b058-cf58834340f0
 2011-04-06 11:06:10 +00:00
kokalj 95d6aa005b tcl version update 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@7672 c92efa57-630b-4861-b058-cf58834340f0
 2011-04-06 10:58:00 +00:00
kokalj 3e0a872c6f updating versions 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@7671 c92efa57-630b-4861-b058-cf58834340f0
 2011-04-06 10:45:26 +00:00
kokalj ccdcc437d9 version set to 4.3 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@7668 c92efa57-630b-4861-b058-cf58834340f0
 2011-04-06 10:32:43 +00:00
kokalj 289c33c333 new pwgui welcome logo 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@7667 c92efa57-630b-4861-b058-cf58834340f0
 2011-04-06 10:29:37 +00:00
kokalj 16a33d1826 awareness of the NEB.X 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@7666 c92efa57-630b-4861-b058-cf58834340f0
 2011-04-06 10:28:17 +00:00
kokalj 84cc86404b updating pp.x module 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@7665 c92efa57-630b-4861-b058-cf58834340f0
 2011-04-06 10:26:29 +00:00
kokalj e214b44323 updating ph.x module 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@7664 c92efa57-630b-4861-b058-cf58834340f0
 2011-04-06 10:26:10 +00:00
kokalj e9fd82cb16 updating ld1.x module 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@7663 c92efa57-630b-4861-b058-cf58834340f0
 2011-04-06 10:24:46 +00:00
kokalj 18a7227064 updating pw.x module 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@7662 c92efa57-630b-4861-b058-cf58834340f0
 2011-04-06 10:24:25 +00:00
kokalj a66a3dd9e3 adding a neb.dat module 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@7661 c92efa57-630b-4861-b058-cf58834340f0
 2011-04-06 10:24:06 +00:00
kokalj 33107a9bf1 adding a neb.dat module 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@7660 c92efa57-630b-4861-b058-cf58834340f0
 2011-04-06 10:14:48 +00:00
kokalj 31014a6e00 updating pwgui input-file examples 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@7659 c92efa57-630b-4861-b058-cf58834340f0
 2011-04-06 10:14:11 +00:00
kokalj 2a29020851 grrr #!@! 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@6764 c92efa57-630b-4861-b058-cf58834340f0
 2010-05-12 10:14:24 +00:00
kokalj 4d1cfe5124 correcting a bug: one file was missing/skipped in the creation of PWgui tgz source archive. 
(no big deal, the pwgui was functional regardless, except for the Help->About PWgui menu)


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@6763 c92efa57-630b-4861-b058-cf58834340f0
 2010-05-12 10:10:30 +00:00
kokalj c1d9e7bcbb update 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@6728 c92efa57-630b-4861-b058-cf58834340f0
 2010-05-05 09:34:02 +00:00
kokalj 4f4e005827 slight look&feel layout improvement 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@6727 c92efa57-630b-4861-b058-cf58834340f0
 2010-05-05 09:32:36 +00:00