Merge pull request #544 from pyiron/neighhdf

TrainingContainer: Save to hdf after get_neighbors
pyiron · Dec 9, 2022 · 12a11e0 · 12a11e0
2 parents 631cefb + b5f7412
commit 12a11e0
Showing 1 changed file with 1 addition and 0 deletions.
diff --git a/pyiron_contrib/atomistics/atomistics/job/trainingcontainer.py b/pyiron_contrib/atomistics/atomistics/job/trainingcontainer.py
@@ -210,6 +210,7 @@ def collect_output(self):
     def run_static(self):
         if self.input.save_neighbors:
             self.get_neighbors()
+            self.to_hdf()
         self.status.finished = True
 
     def run_if_interactive(self):