should_stop_children

atomate2.aims.run.should_stop_children(task_document, handle_unsuccessful=True)[source]

Decide whether child jobs should continue.

Parameters:

  • task_document (.TaskDoc) – An FHI-aims task document.

  • handle_unsuccessful (bool or str) –

    This is a three-way toggle on what to do if your job looks OK, but is actually not converged (either electronic or ionic):

    • True: Mark job as completed, but stop children.

    • False: Do nothing, continue with workflow as normal.

    • ”error”: Throw an error.

Returns:

Whether to stop child jobs.

Return type:

bool