Commit Graph

8 Commits

Author SHA1 Message Date
giannozz a3a39fc998 Cleanup: uniform spelling for "Quantum ESPRESSO", removal of f_defs.h,
CMPLX is explicitly typed, blas/lapack are lowercase (consistently with
the convention: FORTRAN COMMANDS = uppercase, all the rest lowercase)


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@5789 c92efa57-630b-4861-b058-cf58834340f0
2009-08-01 14:26:46 +00:00
giannozz 6f52984cd2 Only one random number generator is used everywhere ("randy", which
seems to be the most uniform). Beware all kinds of unexpected side
effects.


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@5272 c92efa57-630b-4861-b058-cf58834340f0
2008-11-05 20:25:20 +00:00
giannozz 45ae58d60b All occurrences of d0, d+N, d-N, replaced with fortran-90 style _DP.
Please do not re-introduce old-style syntax. A uniform syntax allows
if the need arises to change the precision in less than no time.
Courtesy of Pascal Thibeaudeau. Modules/ directory only.


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@3964 c92efa57-630b-4861-b058-cf58834340f0
2007-06-11 17:13:15 +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 6e55c387ee Axel's patch: removal of unused variables, replacement of variable "index"
with a less dangerous "idx" ("index" is an intrinsic: some compilers may
complain, or even do strange things)


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@3574 c92efa57-630b-4861-b058-cf58834340f0
2006-11-27 15:06:51 +00:00
giannozz 2caa042612 PGI doesn't like "END INTERFACE some_interface" and apparently the
standard is "END INTERFACE", period


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@3433 c92efa57-630b-4861-b058-cf58834340f0
2006-10-04 14:56:35 +00:00
dalcorso 3f443ecc36 Small bug fix.
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@3238 c92efa57-630b-4861-b058-cf58834340f0
2006-07-03 10:06:14 +00:00
cavazzon da4450417d - module random_numbers moved from flib to Modules to avoid
circular dependency. All general purpouse modules should go in
  directory Modules!


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@2769 c92efa57-630b-4861-b058-cf58834340f0
2006-02-04 14:06:28 +00:00