EXCITING 0.9.145
commit2714f84206e1d4e942786bbd8a171dbc57c71b1b
authorChristian Meisenbichler <christian.meisenbichler@unileoben.ac.at>
Mon, 17 Dec 2007 07:15:38 +0000 (17 08:15 +0100)
committerChristian Meisenbichler <christian.meisenbichler@unileoben.ac.at>
Mon, 17 Dec 2007 07:15:38 +0000 (17 08:15 +0100)
tree6ac1eb5bef5f5dcc1324affe5352119498b94318
parent4ade42cd6c041a6fbdeefc3e0317942205634ccc
EXCITING 0.9.145

Release notes:
-fixed bug in non-collinear LDA+U, spotted by Francesco Cricchio and
Lars Nordström, and simplified code
-fixed problem which occurs with Intel Fortran version 10, thanks to
C. Koehler
-made the code thread safe for FFTW, thanks again to C. Koehler for
pointing this out
-minor optimisations
-new mailing list available for developers, administered by C. Meisenbichler
44 files changed:
docs/exciting/exciting.pdf
docs/spacegroup/spacegroup.pdf
examples/FeAl-LDA+U-INT/exciting.in
examples/NiO-LDA+U-FLL/exciting.in
src/dynsymapp.f90
src/effmass.f90
src/factnm.f90
src/findsymlat.f90
src/gendmatlu.f90
src/genveelu.f90
src/genvmatlu.f90
src/getevecfv.f90
src/i3minv.f90
src/init0.f90
src/linopt.f90
src/main.f90
src/modmain.f90
src/phcell.f90
src/phonon.f90
src/potcoul.f90
src/r3cross.f90
src/r3minv.f90 [copied from src/spacegroup/r3minv.f90 with 61% similarity]
src/r3mm.f90 [copied from src/spacegroup/r3mm.f90 with 50% similarity]
src/r3mmt.f90
src/r3mtm.f90
src/r3mtv.f90
src/r3mv.f90 [copied from src/spacegroup/r3mv.f90 with 67% similarity]
src/readinput.f90
src/reciplat.f90
src/rfarray.f90
src/spacegroup/findprim.f90
src/spacegroup/r3cross.f90
src/spacegroup/r3minv.f90
src/spacegroup/r3mm.f90
src/spacegroup/r3mv.f90
src/spacegroup/seitzgen.f90
src/symrf.f90
src/symrfmt.f90
src/symrvf.f90
src/symrvfir.f90
src/writegeom.f90
src/writeldapu.f90
src/writelsj.f90
src/zfftifc.f90