chore: increasing search cutoff

kjappelbaum · Dec 17, 2020 · 4efa3ca · 4efa3ca
1 parent 47b27f9
commit 4efa3ca
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Showing 2 changed files with 2 additions and 2 deletions.
diff --git a/oximachine_featurizer/crystalnn.py b/oximachine_featurizer/crystalnn.py
@@ -32,7 +32,7 @@ def __init__(
         distance_cutoffs=(0.5, 1),
         x_diff_weight=3.0,
         porous_adjustment=True,
-        search_cutoff=10,
+        search_cutoff=13,
         fingerprint_length=None,
     ):
         """

diff --git 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=10, compute_adj_neighbors=False),
+            VoronoiNN(weight=self.weight, cutoff=13, compute_adj_neighbors=False),
             strc,
             idx,
         )