diff --git a/src/tcutility/job/ams.py b/src/tcutility/job/ams.py index fc4efa28..afa3bbfa 100644 --- a/src/tcutility/job/ams.py +++ b/src/tcutility/job/ams.py @@ -180,6 +180,11 @@ def _setup_job(self): ''' os.makedirs(self.rundir, exist_ok=True) + for file in os.listdir(self.rundir): + p = os.path.join(self.rundir, file) + if p.endswith('.rkf'): + os.remove(p) + if not self._molecule and not self._molecule_path and 'atoms' not in self.settings.input.ams.system: log.error(f'You did not supply a molecule for this job. Call the {self.__class__.__name__}.molecule method to add one.') return