7122df38fa
Fix for very exotic output format problem + minor changes
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@3338 c92efa57-630b-4861-b058-cf58834340f0
2006-08-24 17:49:26 +00:00
3899afae5b
- npwx should be summed over pools in order to prevent problems at
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restart. There still is a crash whose origin is unclear, though.
- some minor cleanup here and there
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@3335 c92efa57-630b-4861-b058-cf58834340f0
2006-08-24 13:49:14 +00:00
50ae06d1d7
Restart with new format works (sort of: charge density and wavefunctions
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are not yet read from xml file) in parallel execution
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@2745 c92efa57-630b-4861-b058-cf58834340f0
2006-01-30 16:17:30 +00:00
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
0b1a5c9fd8
Extensive module cleanup: DP moved from wrong place (parameters) to the
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correct place (kinds); module "varie" replaced by "control_flags" (not
yet in pwcom, though) - many many files changed.
64-bit cpus (Opteron, maybe Itanium) should now work if __LINUX64 is defined
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@513 c92efa57-630b-4861-b058-cf58834340f0
2004-01-23 15:08:03 +00:00
9e3a2de758
Support for lahey compiler added: "error" renamed to "errore", "rnd" to "rndx"
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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
2003-02-21 14:57:00 +00:00
d852392cab
module allocate, calls to mallocate, mfree removed
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pointers replaced by allocatable whenever possible
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@56 c92efa57-630b-4861-b058-cf58834340f0
2003-02-07 16:04:36 +00:00
ac9f2144c0
O-sesame
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@2 c92efa57-630b-4861-b058-cf58834340f0
2003-01-19 21:58:50 +00:00
giannozz