Merge pull request #253 from TheoChem-VU/252-issue-with-kffile-creati…

…on-errors

Fixed an issue related to failed jobs and KFFile creation

src/tcutility/job/ams.py

@@ -180,10 +180,19 @@ 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)
+        # 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 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.')