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allaffa committed Aug 15, 2023
1 parent 8bcea09 commit c9e023f
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1 change: 1 addition & 0 deletions hydragnn/utils/abstractrawdataset.py
Original file line number Diff line number Diff line change
Expand Up @@ -372,6 +372,7 @@ def __build_edge(self):
#################################

# edge lengths already added manually if using PBC.
# if spherical coordinates or pair point is set up, then skip directly to edge_transformation
if (
(not self.periodic_boundary_conditions)
and (not hasattr(self, self.edge_feature_transform))
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