Note: There is a change in this commit that may or may not fix
or produce a bug that might be there or not: The rhc array in the
subroutine signature of cored was missing the spin dimension that
it has in cdngen. This is now corrected and the array is now correctly
filled in cored. It is unclear if this changes the behavior of the
code at some place. It might have an effect in cdnovlp as this array
also goes there.

in maschine.sh no modules are loaded and no env variables are set,
this breaks in case cmake is called later from make. Instead machine specific
config files are copied.

apws has to be compiled without optimization on new intel compiler

The numbering scheme of the old densities changed. It now represents the
last two digits of the overall iteration. Not just of the iteration
of the current run.

The interface is by far not yet complete. Up to now the charge
density I/O operations in main/vgen.F90 are wrapped.

qpw_to_nmt. This variable should be added to xml-Schema!

...this was due to one of the last commits.

...it was broken after the last commit. Don't know if it can be trusted
at the moment.

removed: weight, natd, nkpts,nkptd

XML output is still missing

- made l_zref a local variable no longer in type sym
- changed the setup of the parallelization (mpi/mpimakegroups is obsolete)
- added new command line switches yet to be documented :-)

This is currently used to switch off optimization for some files

I put the resetIterationDependentTimers call to the beginning of
each iteration. This should provide correct timings in
juDFT_times if a single iteration is performed. Right now, the
iteration dependent times in juDFT_times are not cumulated over
the iterations. Only the total runtime is for all iterations.
The other times are only for the last iteration performed.

If the timings for each iteration are relevant they can be
found in the out.xml file.

Removed ELPA from jureca configuration (needs fixing)

...to make inpgen compilable again after the last commit.

issue a warning if the stack is limited

This might otherwise take a long time and is serial!