f533b052d5
dbl => DP (defined as previously dbl was)
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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
b7d3d29b11
Added missing copyright notice
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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
f109832e50
rab = dr/dx is now a global variable, always calculated
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@1649 c92efa57-630b-4861-b058-cf58834340f0
2005-02-17 14:27:59 +00:00
552a409910
Cleanup of the mess with spin-orbit and semilocal PP
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@1637 c92efa57-630b-4861-b058-cf58834340f0
2005-02-11 11:18:07 +00:00
ae4dbae1fc
Minor changes
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@1614 c92efa57-630b-4861-b058-cf58834340f0
2005-02-03 18:20:34 +00:00
601ee35891
Fixed minor inconsistencies in reading NC-PP and in writing UPF
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Removed some debugging messages of questionable usefulness
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@1607 c92efa57-630b-4861-b058-cf58834340f0
2005-02-01 13:01:37 +00:00
29aaac751d
Cleanup of the atomic code by Pascal Thibaudeau - mostly cosmetic
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but some calls to lapack could lead to problems for some compilers
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@1504 c92efa57-630b-4861-b058-cf58834340f0
2004-12-10 15:33:00 +00:00
890870875d
Bug fix: the lenght of dft in readpseudo was 50. Problem
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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
0c5845465a
PP generation code added in atomic/ - still some cleanup to do
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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
giannozz