Michael F. Herbst

Results 344 comments of Michael F. Herbst
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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...