From 47b27f939d514b6a98540167bb3b21d8035b3eb7 Mon Sep 17 00:00:00 2001 From: "Kevin M. Jablonka" Date: Thu, 17 Dec 2020 18:15:40 +0100 Subject: [PATCH] chore: increasing search cutoff --- oximachine_featurizer/featurizer_local_property.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/oximachine_featurizer/featurizer_local_property.py b/oximachine_featurizer/featurizer_local_property.py index 9dfd5c3..ea778fa 100644 --- a/oximachine_featurizer/featurizer_local_property.py +++ b/oximachine_featurizer/featurizer_local_property.py @@ -83,7 +83,7 @@ def featurize(self, strc, idx): # Get the tessellation of a site nn = get_nearest_neighbors( - VoronoiNN(weight=self.weight, cutoff=8, compute_adj_neighbors=False), + VoronoiNN(weight=self.weight, cutoff=10, compute_adj_neighbors=False), strc, idx, )