Do not use .project_hdf5

Since this actually raises an error instead of returning None it fails when calling this function on a non MD job.
pyiron · Dec 21, 2023 · c285da3 · c285da3
1 parent bb93280
commit c285da3
Showing 1 changed file with 1 addition and 1 deletion.
diff --git a/pyiron_atomistics/project.py b/pyiron_atomistics/project.py
@@ -55,7 +55,7 @@
 
 
 def _vasp_energy_kin_affected(job):
-    e_kin = job.project_hdf5["output/generic/dft/scf_energy_kin"]
+    e_kin = job["output/generic/dft/scf_energy_kin"]
     return e_kin is not None and not isinstance(e_kin, np.ndarray)