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quantum-espresso
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11 Commits

Author SHA1 Message Date
ballabio cda50edca5 *** empty log message *** 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@1441 c92efa57-630b-4861-b058-cf58834340f0
 2004-11-11 14:19:07 +00:00
ballabio 7c51375cbf *** empty log message *** 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@1440 c92efa57-630b-4861-b058-cf58834340f0
 2004-11-11 14:18:47 +00:00
ballabio 8a6525f4fe renamed .dependencies to make.depend, added them to CVS [Gerardo] 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@1434 c92efa57-630b-4861-b058-cf58834340f0
 2004-11-09 10:53:55 +00:00
dalcorso 890870875d Bug fix: the lenght of dft in readpseudo was 50. Problem 
introduced by merging ld1 with PWscf.
Added few additional checks for pseudopotential generation.
Clean-up. Some routines are in flib.
p wavefunctions added to the Pt pseudopotential.


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@1406 c92efa57-630b-4861-b058-cf58834340f0
 2004-11-01 08:55:28 +00:00
giannozz 9b7ec82c2b chdens can produce "cubefile" format (Gaussian) 
(contributed by Axel Kohlmeyer)
Version 2.1 tagged


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@1322 c92efa57-630b-4861-b058-cf58834340f0
 2004-09-20 08:37:49 +00:00
ballabio 7bece4b4eb cleanup and some reorganization [Gerardo] 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@1217 c92efa57-630b-4861-b058-cf58834340f0
 2004-09-02 17:07:31 +00:00
giannozz ed40ead9a5 More cleanup 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@1059 c92efa57-630b-4861-b058-cf58834340f0
 2004-07-10 16:49:17 +00:00
giannozz 1d3e0bd046 Cleanup, indentation, out-of-bound error in ascheq 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@1043 c92efa57-630b-4861-b058-cf58834340f0
 2004-07-05 16:48:13 +00:00
giannozz 5563bfdc66 Functions "capital" and "matches" taken out of module "parser" 
and added to flib; duplicated routines removed. Manual update.


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@900 c92efa57-630b-4861-b058-cf58834340f0
 2004-05-19 16:56:56 +00:00
ballabio 869e3f87ac *** empty log message *** 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@897 c92efa57-630b-4861-b058-cf58834340f0
 2004-05-18 11:05:17 +00:00
giannozz 0c5845465a PP generation code added in atomic/ - still some cleanup to do 
Please do not work any longer on the old branches!!!


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@889 c92efa57-630b-4861-b058-cf58834340f0
 2004-05-14 15:33:08 +00:00