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10 Commits

Author SHA1 Message Date
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
sbraccia 4c30bb71a3 Again a fix for the array out-of-bounds problem. 
C.S.


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@483 c92efa57-630b-4861-b058-cf58834340f0
 2004-01-14 14:03:12 +00:00
sbraccia a7c6be7fc2 A check for out-of-bounds error on the array gk has been added. 
C.S.


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@482 c92efa57-630b-4861-b058-cf58834340f0
 2004-01-14 08:58:46 +00:00
giannozz 85162b6006 cell parameters in the case ibrav=0 back to previous convention 
(as documented in INPUT_PP). Misc. cleanup, manual updated


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@278 c92efa57-630b-4861-b058-cf58834340f0
 2003-07-28 15:03:32 +00:00
cavazzon 09f9816359 "goto" substitute with "exit" 
gvectors modules are checked with the same tolerance
as in the sorting routine.


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@270 c92efa57-630b-4861-b058-cf58834340f0
 2003-07-22 10:02:07 +00:00
cavazzon 21473c7a29 FPMD: 
PRIVATE keyword added to all FPMD source files,
variables that have to be known outside the module
are explicitly declared as PUBLIC
CPV:
now CP uses the same input parser as FPMD


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@267 c92efa57-630b-4861-b058-cf58834340f0
 2003-07-21 15:59:32 +00:00
cavazzon b361a00b78 restart file restructure started. 
new hpsort that should solve the problems with the unique
g vectors ordering, d1, d2, d3 eliminated from ggens of all
the codes.


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@253 c92efa57-630b-4861-b058-cf58834340f0
 2003-06-30 14:30:44 +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