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This PR fixes the edge counts in the directed case (i.e. with symmetric edges) being overly aggressively filtered out.
I've refactored where the
set
based filtering of edges is done: instead of in theEdge
class itself, we simply skip over all of theset
loops ifis_undirected=False
. In other words, ifis_undirected=False
, we simply return the edges out ofase
orpymatgen
neighbor lists.