huge rearragement is going on
new code works for non-magnetic relaxation
cghanging to vector3d
more replacements to vector3d
write from cif to json
cleanup and small fix
remove unused line
remove unused code
introduce the full diagonalization
small fix
update of dft_loop
improve pstdio; some ideas how to parallelize radial inytegrals over free mpi ranks
small update to the new radial integrals parallelization
backup commit before some simplifications of the radial integrals
a bug was introduced somewhere; this is an intermediate commit
update of dft_loop
cleanup and fixes
one more timer
more timers
some optimizations