Commit Graph

12 Commits

Author SHA1 Message Date
giannozz 45e4bf664b Final (?) calbec cleanup, update of make.depend files
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@4539 c92efa57-630b-4861-b058-cf58834340f0
2007-12-19 17:47:12 +00:00
giannozz 3a98e2d9d4 More patches from Axel:
- correct an unquoted string (iosys) in PW/input.f90:483
(this was the cause of tonight compilation failere)
- correct a few incorrect format strings
- make more use of the constants module and thus
  provide more consistent units. NOTE, this has some
  numerical changes in the outputs, as in some places
  rather low precision and inconsistent numbers were
  used for unit conversion.
- convert all(?) single precision constants to double
  using the attached little perl program.
  exceptions: efermi.f90 (as it is supposed to be rewritten
  anyways), plotbands.f90 (it uses single precision everywhere,
  which may result in saving a significant amount of memory,
  so i converted the two double precision constants to single).
Unused routine 'set_fft_grid' removed


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@3602 c92efa57-630b-4861-b058-cf58834340f0
2006-12-14 08:53:47 +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
sbraccia 0caeadbd7b Machine-dependent definitions are now contained in two different files (both in /include):
1) f_defs.h  for definitions to be included in FORTRAN files ONLY
   2) c_defs.h  for definitions to be included in C       files ONLY

C.S.


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@1012 c92efa57-630b-4861-b058-cf58834340f0
2004-06-25 17:25:37 +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
sbraccia 24ce939aeb 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@365 c92efa57-630b-4861-b058-cf58834340f0
2003-11-04 10:53:05 +00:00
giannozz ce8515b1be many calls to "setv" replaced by f90 assignements
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@314 c92efa57-630b-4861-b058-cf58834340f0
2003-09-17 21:50:03 +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 4d8bb08b2f Le virgolette '' confondono certi compilatori ...
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@38 c92efa57-630b-4861-b058-cf58834340f0
2003-01-29 14:04:02 +00:00
giannozz 43433b42cd Manuale, dynmat.f90, copyright, misc
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@29 c92efa57-630b-4861-b058-cf58834340f0
2003-01-28 12:28:11 +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