Merge pull request #1402 from pyiron/interfacemethod_bugfix

Fix bug for interface method reloading jobs
pyiron · May 2, 2024 · 671d7ea · 671d7ea
2 parents 394c588 + b07ea71
commit 671d7ea
Showing 1 changed file with 1 addition and 1 deletion.
diff --git a/pyiron_atomistics/thermodynamics/interfacemethod.py b/pyiron_atomistics/thermodynamics/interfacemethod.py
@@ -39,7 +39,7 @@ def freeze_one_half(basis):
     Returns:
         pyiron_atomistics.structure.atoms.Atoms: Atomistic structure object with half of the atoms fixed
     """
-    basis.add_tag(selective_dynamics=None)
+    basis.add_tag(selective_dynamics=[True, True, True])
     _, _, z = basis.scaled_pos_xyz()
     for selector, ind in zip(z < 0.5, range(len(basis))):
         if selector: