From db84cb2a5f218b94f4a367102b67ac51e808fc1a Mon Sep 17 00:00:00 2001 From: Zishen Wang <64644075+zz11ss11zz@users.noreply.github.com> Date: Sat, 21 Sep 2024 10:53:39 -0700 Subject: [PATCH] Update _rdf.py Signed-off-by: Zishen Wang <64644075+zz11ss11zz@users.noreply.github.com> --- src/maml/describers/_rdf.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/src/maml/describers/_rdf.py b/src/maml/describers/_rdf.py index bb3e0bbf..154a1623 100644 --- a/src/maml/describers/_rdf.py +++ b/src/maml/describers/_rdf.py @@ -233,7 +233,7 @@ def get_pair_distances(structure: Structure, r_max: float = 8.0) -> list[dict]: species = np.array([str(i.specie) for i in structure.sites]) res = [{"specie": i, "neighbors": {}} for i in species] neighbor_species = species[index2] - tuples = np.array(list(zip(index1, neighbor_species, strict=False)), dtype=[("index", "i4"), ("specie", "