GitLab

Due to recently introduced "use mpi" statements also some
naming conflicts have been introduced. It seems to be the case
that some MPI libraries use the name "mpi_comm". I therefore replaced
variables with that name in fleur by "fmpi_comm". I don't know
whether I found every place where this problem is present. Please
perform similar replacements if you find more places.

-The density matrix is already allocated with 3 spins but only 2 spins are expected in the hdf file

-corrected invalid tag/attribute names in DMI type
-Forcetheorem_Loop is used for all calculations with the type of the calculation as an attribute

Move the location of the error tag behind closing all tags (except the maintag) to only have one place, where this element can occur

I noticed that the angles for orbcomp were actually missing in the schema

Use l_printData in qfix to also determine if first cdntot call writes to out.xml and add missing slash in OutputSchema

removed some unnecessary maxOccurs

This way they can be easily referenced in Forcetheorem Loop types (not here yet), without producing recursion

Does not terminate if it is not successful since it is not needed to validate in the calculation at the moment

Use xsd:include instead