- atomate2.vasp.run.should_stop_children(task_document: TaskDocument, handle_unsuccessful: bool | str = SETTINGS.VASP_HANDLE_UNSUCCESSFUL) bool #
Parse VASP outputs and decide whether child jobs should continue.
A VASP task document.
- handle_unsuccessfulbool or
This is a three-way toggle on what to do if your job looks OK, but is actually unconverged (either electronic or ionic):
True: Mark job as completed, but stop children.
False: Do nothing, continue with workflow as normal.
“error”: Throw an error.
Whether to stop child jobs.