Commit Graph

11 Commits

Author SHA1 Message Date
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 df51dc0b2a More USPP variables moving around
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@937 c92efa57-630b-4861-b058-cf58834340f0
2004-06-01 21:22:19 +00:00
giannozz c16e3106a9 More tweaking with USPP variables
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@936 c92efa57-630b-4861-b058-cf58834340f0
2004-06-01 16:50:03 +00:00
giannozz 47c5de62f8 More USPP_related variables moved to Modules/uspp.f90
Note that lqx => lmaxq for consistency with other names
(those ending in x are static dimensioning)
Beware unexpected side effects (PG)


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@933 c92efa57-630b-4861-b058-cf58834340f0
2004-05-31 17:55:33 +00:00
giannozz 2da5c01765 becp = <beta|psi> allocated only when needed (except in phonon where it is
still allocated at the beginning) - misc cleanup


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@878 c92efa57-630b-4861-b058-cf58834340f0
2004-05-11 21:08:21 +00:00
giannozz 68b075c1ae Cleanup: pwcom no longer used in PP/
qgm is now a local variable as it should be


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@867 c92efa57-630b-4861-b058-cf58834340f0
2004-05-08 10:24:24 +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
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 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