diff --git a/docs/_build/doctrees/cli_scripts/main.doctree b/docs/_build/doctrees/cli_scripts/main.doctree index a66fbf9f..17c03132 100644 Binary files a/docs/_build/doctrees/cli_scripts/main.doctree and b/docs/_build/doctrees/cli_scripts/main.doctree differ diff --git a/docs/_build/doctrees/environment.pickle b/docs/_build/doctrees/environment.pickle index 89160d6d..8c344236 100644 Binary files a/docs/_build/doctrees/environment.pickle and b/docs/_build/doctrees/environment.pickle differ diff --git a/docs/_build/html/_modules/tcutility/job/ams.html b/docs/_build/html/_modules/tcutility/job/ams.html index 6248030e..6de59968 100644 --- a/docs/_build/html/_modules/tcutility/job/ams.html +++ b/docs/_build/html/_modules/tcutility/job/ams.html @@ -467,19 +467,17 @@
'''
os.makedirs(self.rundir, exist_ok=True)
- # clean the workdir if it contains files
- for file in os.listdir(self.workdir):
- p = os.path.join(self.workdir, file)
- if p.endswith('.rkf'):
- os.remove(p)
- if 'ams.kid' in p:
- os.remove(p)
- if p.startswith('t21.'):
- os.remove(p)
- if p.startswith('t12.'):
- os.remove(p)
-
-
+ if os.path.exists(self.workdir):
+ for file in os.listdir(self.workdir):
+ p = os.path.join(self.workdir, file)
+ if p.endswith('.rkf'):
+ os.remove(p)
+ if 'ams.kid' in p:
+ os.remove(p)
+ if p.startswith('t21.'):
+ os.remove(p)
+ if p.startswith('t12.'):
+ 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.')