Michael F. Herbst
Michael F. Herbst
BTW the test failures in the "normal" tests seem fake (because of a too tightly chosen test tolerance, I think), but the cancelled MPI test points to an issue in...
I'm in favour of this. @abussy Please update and then we can merge this ! @antoine-levitt Objections ?
@abussy The only thing that we have to be careful with is unfolding the k-point mesh when not using symmetries and during IO operations.
> I gave some thoughts to changing the :dont_test_mpi test tag to :mpi. I think that, by default, DFTK should be MPI compatible. Any method of function not implemented for...