exciting-0.9.151
commit54331b0fca1d0d03344334eaf142cd47f8cf1af7
authorChristian Meisenbichler <christian.meisenbichler@unileoben.ac.at>
Tue, 25 Mar 2008 10:38:15 +0000 (25 11:38 +0100)
committerChristian Meisenbichler <christian.meisenbichler@unileoben.ac.at>
Tue, 25 Mar 2008 10:38:15 +0000 (25 11:38 +0100)
tree179cce1e4ba1a7e1868bf61cedc1317beeb7d138
parent63045b1e2d699ed105d17cb789d3c1a9e3910b72
exciting-0.9.151
-fixed serious bug discovered by C. Koehler in the density symmetrisation routine
- this affected a limited number of spacegroups (like that in the B12 example), and typically produced a warning about the total charge
-no other changes
docs/exciting/exciting.pdf
docs/spacegroup/spacegroup.pdf
examples/TiO2/exciting.in [deleted file]
src/main.f90
src/modmain.f90
src/symrfir.f90
src/symrvfir.f90
src/writeinfo.f90