should_stop_children#

atomate2.vasp.run.should_stop_children(task_document: TaskDocument, handle_unsuccessful: bool | str = SETTINGS.VASP_HANDLE_UNSUCCESSFUL) bool[source]#

Parse VASP outputs and decide whether child jobs should continue.

Parameters
task_documentTaskDocument

A VASP task document.

handle_unsuccessfulbool 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
bool

Whether to stop child jobs.