Commented out the reset of the job_dict conformers

ReactionMechanismGenerator · Apr 3, 2023 · 1953aaf · 1953aaf
1 parent 6c7513e
commit 1953aaf
Showing 1 changed file with 1 addition and 1 deletion.
diff --git a/arc/scheduler.py b/arc/scheduler.py
@@ -1743,7 +1743,7 @@ def process_conformers(self, label):
         if self.species_dict[label].initial_xyz is None and self.species_dict[label].final_xyz is None \
                 and not self.testing:
             if len(self.species_dict[label].conformers) > 1:
-                self.job_dict[label]['conformers'] = dict()
+                #self.job_dict[label]['conformers'] = dict()
                 for i, xyz in enumerate(self.species_dict[label].conformers):
                     self.run_job(label=label,
                                  xyz=xyz,