should_stop_children#

atomate2.vasp.run.should_stop_children(task_document, handle_unsuccessful=SETTINGS.VASP_HANDLE_UNSUCCESSFUL)[source]#

Parse VASP outputs and decide whether child jobs should continue.

Parameters:

  • task_document (.TaskDoc) – A VASP 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 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.

Returns:

Whether to stop child jobs.

Return type:

bool