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trsh logic change in run_job func call
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this is to ensure that the dictionary in args['trsh'] is passed through the function correctly and to stop ['', '', 'nosymm'] syntax error

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calvinp0 committed Dec 13, 2023
1 parent 5b52159 commit 6a7b567
Showing 1 changed file with 2 additions and 2 deletions.
4 changes: 2 additions & 2 deletions arc/scheduler.py
Original file line number Diff line number Diff line change
Expand Up @@ -735,7 +735,7 @@ def run_job(self,
reactions: Optional[List['ARCReaction']] = None,
scan_trsh: Optional[str] = '',
shift: Optional[str] = '',
trsh: Optional[str] = '',
trsh: Optional[Union[str, dict, list]] = None,
torsions: Optional[List[List[int]]] = None,
times_rerun: int = 0,
tsg: Optional[int] = None,
Expand Down Expand Up @@ -1012,7 +1012,7 @@ def _run_a_job(self,
max_job_time=job.max_job_time,
rotor_index=job.rotor_index,
reactions=job.reactions,
trsh=list(job.args['trsh'].values()) if 'trsh' in job.args else '',
trsh=job.args['trsh'] if 'trsh' in job.args and 'trsh' else [],
torsions=job.torsions,
times_rerun=job.times_rerun + int(rerun),
tsg=job.tsg,
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