OpenFF: remove default kwargs
@@ -71,12 +71,7 @@ class OpenFFWorkflow(Collection):
}
enumerate_fragments: Dict[str, Any] = {
"version": "",
- "options": {
- "strict_stereo": True,
- "combinatorial": True,
- "MAX_ROTORS": 3,
- "remove_map": True
- }
+ "options": {}
}
torsiondrive_input: Dict[str, Any] = {
"restricted": True,
