From 1953aaf6b3f345479b7132ecfbef6f04dbea976a Mon Sep 17 00:00:00 2001 From: Calvin Date: Mon, 3 Apr 2023 15:29:20 +0300 Subject: [PATCH] Commented out the reset of the job_dict conformers --- arc/scheduler.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/arc/scheduler.py b/arc/scheduler.py index 56bffa07df..e14eeba5fe 100644 --- 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,