From ad2ca03afeca84fa853a46a2a16ff9935e7e7072 Mon Sep 17 00:00:00 2001 From: Jintao Date: Fri, 13 Sep 2024 15:50:54 +0800 Subject: [PATCH] Formatting --- arc/scheduler.py | 10 +++++----- 1 file changed, 5 insertions(+), 5 deletions(-) diff --git a/arc/scheduler.py b/arc/scheduler.py index c051f4b1e..37d583c3d 100644 --- a/arc/scheduler.py +++ b/arc/scheduler.py @@ -1121,11 +1121,11 @@ def run_conformer_jobs(self, labels: Optional[List[str]] = None): else: # Run the combinatorial method w/o fitting a force field. n_confs = self.n_confs if self.species_dict[label].multi_species is None else 1 - self.species_dict[label].generate_conformers( - n_confs=n_confs, - e_confs=self.e_confs, - plot_path=os.path.join(self.project_directory, 'output', 'Species', - label, 'geometry', 'conformers')) + self.species_dict[label].generate_conformers(n_confs=n_confs, + e_confs=self.e_confs, + plot_path=os.path.join(self.project_directory, 'output', 'Species', + label, 'geometry', 'conformers'), + ) self.process_conformers(label) # TSs: elif self.species_dict[label].is_ts \