check_charge_state¶ atomate2.common.jobs.defect.check_charge_state(charge_state, task_structure)[source]¶ Check that the charge state of a defect calculation is correct. Parameters: chargestate (int) – The charge state to check. task_doc (TaskDoc) – The task document to check. charge_state (int) task_structure (Structure) Return type: True if the charge state is correct, otherwise raises a ValueError.