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13 Commits

Author SHA1 Message Date
giannozz c8472f5984 Calculation of planar averages of wavefunctions moved out of pp.x 
into a separate code (plan_avg.x). Output file should be the same.
Completely untested: it compiles, no warranty that it works!


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@2714 c92efa57-630b-4861-b058-cf58834340f0
 2006-01-19 17:59:10 +00:00
giannozz 7cf398eeec More tweaking with post-processing 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@2175 c92efa57-630b-4861-b058-cf58834340f0
 2005-09-14 12:48:59 +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
giannozz 9a130c7be5 Opened file not closed 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@910 c92efa57-630b-4861-b058-cf58834340f0
 2004-05-25 13:01:14 +00:00
degironc 5ee19285b7 read_io_header split from plot_io in order to avoid fake allocations otherwise 
needed when calling plot_io with iflag=0


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@527 c92efa57-630b-4861-b058-cf58834340f0
 2004-01-27 12:31:56 +00:00
giannozz 0b1a5c9fd8 Extensive module cleanup: DP moved from wrong place (parameters) to the 
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
giannozz 183a01bc5e Check on undefined variables, out-of-bound arrays 
Several implicit none re-added, pwcom modules split


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@466 c92efa57-630b-4861-b058-cf58834340f0
 2004-01-06 10:53:30 +00:00
sbraccia b33c2e1f64 Unit stdout (set in Modules/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@375 c92efa57-630b-4861-b058-cf58834340f0
 2003-11-06 09:41:13 +00:00
dalcorso f31f739216 Small change of format. Needed with large and negative atomic coordinates. 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@285 c92efa57-630b-4861-b058-cf58834340f0
 2003-08-20 16:19:46 +00:00
giannozz be52103a27 All filenames => 80 char 
All directories=> 80 char
Filenames + directories + other => 256
---------------------------------------------------------------


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@154 c92efa57-630b-4861-b058-cf58834340f0
 2003-04-12 19:25:08 +00:00
giannozz 9e3a2de758 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
 2003-02-21 14:57:00 +00:00
giannozz d852392cab module allocate, calls to mallocate, mfree removed 
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
giannozz ac9f2144c0 O-sesame 
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