force set r_pbc True

FAIR-Chem · Sep 20, 2024 · 20a0319 · 20a0319
1 parent efcb0af
commit 20a0319
Showing 1 changed file with 1 addition and 1 deletion.
diff --git a/src/fairchem/core/common/relaxation/ase_utils.py b/src/fairchem/core/common/relaxation/ase_utils.py
@@ -241,7 +241,7 @@ def __init__(
             r_energy=False,
             r_forces=False,
             r_distances=False,
-            r_pbc=self.trainer.model.use_pbc,
+            r_pbc=True,
             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())