Commit Graph

9 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
giannozz 382c9fdf2d cleanup
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@489 c92efa57-630b-4861-b058-cf58834340f0
2004-01-17 13:44:31 +00:00
cavazzon c5d8ff2f66 - unit 6 replaced by stdout in CPV
- ^M removed from pseudo files
- wavefunctions arrais moved to module
  wavefunctions_module, common to all codes
  this is required to reduce duplicated subroutine
- new lapack subroutine, called from PWCOND,
  added to lib/lapack.f lib/lapack_ibm.f


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@381 c92efa57-630b-4861-b058-cf58834340f0
2003-11-09 10:42:50 +00:00
giannozz e34c8c50e3 Several Gamma-specific routines merged into PW/
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@356 c92efa57-630b-4861-b058-cf58834340f0
2003-10-29 18:53:40 +00:00
cavazzon 1d34b5c0a8 non collinear spin version of PW,
contributed by Adriano Mosca Conte,
added to the repository.
The non collinear code has required
a new module "wavefunctions" containing
"psic" and "evc", that no longer belong
to pwcom.

use: cvs update -d

there's a new example (example13), that is not
yet complete, I'm waiting for the appropriate
pseudopotential from Adriano


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@322 c92efa57-630b-4861-b058-cf58834340f0
2003-10-03 14:01:11 +00:00
degironc 92070bf269 more cleanup, mainly in PH dir
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@194 c92efa57-630b-4861-b058-cf58834340f0
2003-04-29 11:20:28 +00:00
giannozz 6e3853d809 Some cleanup and marginal improvements in force calculation for US PP
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@144 c92efa57-630b-4861-b058-cf58834340f0
2003-04-04 14:36:00 +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