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9 Commits

Author SHA1 Message Date
paulatto 1ff7ac8dd9 Error messages a bit more verbose. 
LP


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@4626 c92efa57-630b-4861-b058-cf58834340f0
 2008-01-15 15:44:04 +00:00
giannozz b9100e61d4 More atomic code cleanup 
- el_config.f90 now contains all routines reading electronic configuration
- occ_spin.f90 contains all routines that assign spin or j top states
- more explicit message
- issue warning but do not stop if generating an USPP with zero augmentation
  charge


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@2586 c92efa57-630b-4861-b058-cf58834340f0
 2005-12-13 17:58:01 +00:00
giannozz fb8ed3241c - it is possible to specify j=l-1/2 and j=l+1/2 states for relativistic 
calculations (rel=2) using "config" to pass the electronic configuratio
- more checks on what is read in input
- some cleanup


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@2584 c92efa57-630b-4861-b058-cf58834340f0
 2005-12-13 16:38:50 +00:00
giannozz f533b052d5 dbl => DP (defined as previously dbl was) 
syntax for declarations: real(DP), without "kind="


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@2135 c92efa57-630b-4861-b058-cf58834340f0
 2005-08-28 14:09:42 +00:00
ballabio 69c501c5f2 more end --> end subroutine [Gerardo] 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@1859 c92efa57-630b-4861-b058-cf58834340f0
 2005-05-12 15:19:08 +00:00
giannozz b7d3d29b11 Added missing copyright notice 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@1733 c92efa57-630b-4861-b058-cf58834340f0
 2005-03-21 14:33:57 +00:00
giannozz cd1b0d4e72 Fixed some errors added with the last changes 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@1601 c92efa57-630b-4861-b058-cf58834340f0
 2005-01-31 22:07:24 +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 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