Commit Graph

9 Commits

Author SHA1 Message Date
giannozz 35420db824 Interface with wannier90 updated to v.1.2
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@6325 c92efa57-630b-4861-b058-cf58834340f0
2010-01-28 20:23:58 +00:00
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 40a8625c08 Miscellaneous changes (from Arash) for compatibility with W90:
(1) Makefile in the Q-E root directory has new "make w90" option
(2) New "W90" directory and all subdirectories and files therein
(3) PP/pw2wannier90.f90 has been updated for compatibility with Q-E4.0
(4) Modules/wannier.f90 has been updated
(5) flib/lapack_atlas.f -- additional routines added (needed by W90)
(6) flib/blas.f -- additional routines added (needed by W90)


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@4903 c92efa57-630b-4861-b058-cf58834340f0
2008-05-09 19:17:41 +00:00
giannozz d6b225ee57 Removed DOS end-of-line characters control-M :
they break the script that automatically finds dependencies

control-M characters can be removed using:
cat file-with | tr -d ^M > file-without
where ^M = "control-V control-M"


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@3555 c92efa57-630b-4861-b058-cf58834340f0
2006-11-22 08:37:29 +00:00
degironc 33fe91c533 updated pw2wannier90 interface.
WAN90_example added. stand-alone mode is working, library mode needs to be fixed.


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@3513 c92efa57-630b-4861-b058-cf58834340f0
2006-11-05 23:50:49 +00:00
degironc 3986878fc0 small changes to pw -> wannier90
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@3041 c92efa57-630b-4861-b058-cf58834340f0
2006-04-26 07:38:22 +00:00
degironc 992896dbda pw2wannier90 : additional changes required by the Wannier90 team.
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@3036 c92efa57-630b-4861-b058-cf58834340f0
2006-04-21 16:50:05 +00:00
degironc a07bf318f1 some small additions to pw2wannier90.
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@3014 c92efa57-630b-4861-b058-cf58834340f0
2006-04-11 15:38:24 +00:00
degironc bdaafaec2a pw2wannier90 changed so as to conform to new definition of wannier.nnkp file.
Radial part of the projectors still need to be fixed


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@2938 c92efa57-630b-4861-b058-cf58834340f0
2006-03-22 17:13:21 +00:00