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fix r_edges in OCPcalculator
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lbluque committed Aug 22, 2024
1 parent 8d028c8 commit c693829
Showing 1 changed file with 1 addition and 1 deletion.
2 changes: 1 addition & 1 deletion src/fairchem/core/common/relaxation/ase_utils.py
Original file line number Diff line number Diff line change
Expand Up @@ -250,7 +250,7 @@ def __init__(
r_forces=False,
r_distances=False,
r_pbc=self.trainer.model.use_pbc,
r_edges=self.trainer.model.otf_graph, # otf graph should not be a property of the model...
r_edges=not self.trainer.model.otf_graph, # otf graph should not be a property of the model...
)
self.implemented_properties = list(self.config["outputs"].keys())

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