Commit Graph

12 Commits

Author SHA1 Message Date
giannozz 948affe215 Source "normalization" of Gamma phonon
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@6849 c92efa57-630b-4861-b058-cf58834340f0
2010-06-18 16:50:35 +00:00
giannozz da3f938442 More symmetry cleanup (sort of). Symmetry-related variables, together with
routines that find the symmetry of a system, are in module symm_base;
module symme contains only routines for symmetrization of the various
quantities.


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@6403 c92efa57-630b-4861-b058-cf58834340f0
2010-02-12 20:57:55 +00:00
giannozz 2bb7dcecd5 I have forgotten this one
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@6296 c92efa57-630b-4861-b058-cf58834340f0
2010-01-15 08:07:20 +00:00
giannozz a4cf0f888b Minor symmetry cleanup: S^{-1} moved to symmetry module and its usage
made uniform. It seems to work, but beware unintended side effects.


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@6282 c92efa57-630b-4861-b058-cf58834340f0
2010-01-09 15:21:34 +00:00
giannozz afec752184 End of this set of not-so-fundamental changes. Summary:
1) no more f_defs.h file to be included in fortran files
2) all CMPLX explicitly defined as CMPLX(...,KIND=dp)
3) blas/lapack names in lowercase (not all of them, actually)
4) documentation accordingly updated (plus unrelated changes to user_guide)


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@5805 c92efa57-630b-4861-b058-cf58834340f0
2009-08-03 09:19:02 +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
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 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 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