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redefine conformer_jobs_done
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JintaoWu98 committed Oct 3, 2024
1 parent babdbf9 commit 1de1c44
Showing 1 changed file with 1 addition and 1 deletion.
2 changes: 1 addition & 1 deletion arc/scheduler.py
Original file line number Diff line number Diff line change
Expand Up @@ -532,7 +532,7 @@ def schedule_jobs(self):
self.run_opt_job(species.label, fine=self.fine_only)
self.run_conformer_jobs()
self.spawn_ts_jobs() # If all reactants/products are already known (Arkane yml or restart), spawn TS searches.
conformer_jobs_done = False if self.conformer_opt_level is not None else True
conformer_jobs_done = False if self.job_types['conformers'] else True
while self.running_jobs != {}:
self.timer = True
for label in self.unique_species_labels:
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