From 24acd72cc119fbc950862e721cd5bb493f6cafe5 Mon Sep 17 00:00:00 2001 From: "Kevin M. Jablonka" Date: Thu, 17 Dec 2020 19:36:50 +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 6b9346d..8a6eb4e 100644 --- a/oximachine_featurizer/featurizer_local_property.py +++ b/oximachine_featurizer/featurizer_local_property.py @@ -89,7 +89,7 @@ def featurize(self, strc, idx): # Get the tessellation of a site nn = get_nearest_neighbors( - VoronoiNN(weight=self.weight, cutoff=10, compute_adj_neighbors=False), + VoronoiNN(weight=self.weight, cutoff=13, compute_adj_neighbors=False), strc, idx, )