giannozz
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5563bfdc66
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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
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2004-05-19 16:56:56 +00:00 |
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dalcorso
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40bbe919a3
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Reading of a spin-orbit (UPF?) pseudopotential written by the atomic code.
Added the variable lspinorb in input.
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@841 c92efa57-630b-4861-b058-cf58834340f0
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2004-04-30 13:16:03 +00:00 |
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cavazzon
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962296d977
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deallocation statements added to CPV
for neb like dynamics
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@601 c92efa57-630b-4861-b058-cf58834340f0
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2004-02-16 09:53:00 +00:00 |
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sbraccia
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d5030e787e
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Unit stdout (set in io_global.f90) is used to write on standard output
instead of 6 or *.
C.S.
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@364 c92efa57-630b-4861-b058-cf58834340f0
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2003-11-04 10:26:03 +00:00 |
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giannozz
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318b756c42
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rimossi alcuni write di troppo
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@155 c92efa57-630b-4861-b058-cf58834340f0
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2003-04-14 20:14:09 +00:00 |
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giannozz
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8fae4e4de1
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fix for problem when reading local potential fixed again
Make.pc_abs fixed, minor documentation update
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@126 c92efa57-630b-4861-b058-cf58834340f0
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2003-03-19 10:48:33 +00:00 |
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giannozz
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4754cbcb87
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data for preprocessing on parallel machines can be read from standard input
problem when reading local potential on ibm-sp3 fixed
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@123 c92efa57-630b-4861-b058-cf58834340f0
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2003-03-14 10:22:48 +00:00 |
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giannozz
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9e3a2de758
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Support for lahey compiler added: "error" renamed to "errore", "rnd" to "rndx"
bug in io_base fixed
PARA => __PARA
cinterpolate moved into interpolate
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@86 c92efa57-630b-4861-b058-cf58834340f0
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2003-02-21 14:57:00 +00:00 |
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giannozz
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ac9f2144c0
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O-sesame
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@2 c92efa57-630b-4861-b058-cf58834340f0
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2003-01-19 21:58:50 +00:00 |