Matt McDermott

Until this is eventually added as a feature, it should be possible to write your own function in Python implementing Yen's Algorithm (k-shortest paths), since this is basically a wrapper...

@kamronald @janosh @guymoore13 Funny enough, I just ran into the same error originally posted by Ronald. I had installed `enumlib` through conda. However, compiling `enumlib` from scratch did not fix...

I think I *finally* figured this one out. The enumerated structures produced within `MagneticStructureEnumerator` contain only spins on SOME sites (i.e., the magnetic species). See example, which I dumped within...

> It seems now the solution is to handle cases where we need implicit zero magmoms to be set explicitly to zero (this issue), and cases where we actually do...

Does this fix make sense to you? https://github.com/mattmcdermott/pymatgen/commit/1e303a384940adc2f3975fa3f1daf6a8be397c1a

@kamronald Oh yeah that looks pretty bad. There is definitely more to this bug than just what I fixed.

Hi @fraricci, Thanks for bringing this up. Can you confirm this only applies to compositions with 2 or more magnetic species, and only for orderings of the type `afm_by_XX`? Regarding...

> Now, I'm assuming that if the MagneticStructureEnumerator returns None it means "no magnetic moment" or "0". Is this assumption wrong? And instead, a None means "replace with a default"?...

@mkhorton not sure if you are busy, but do you have any thoughts on the difference between None and 0 in the enumerated orderings?

Tagging @jmmshn @nwinner