qp.analyze.checkup.check_failure_mode

qp.analyze.checkup.check_failure_mode(filepath)

Classify a completed QM job based on its output file content.

Parses the TeraChem output file to identify the job outcome: successful completion, charge/spin error, memory error, or unknown failure.

Parameters:

filepath (str) – Path to the qmscript.out file.

Returns:

Status code: 'done', 'charge', 'memory', 'unknown', or 'running' (if output exists but has no termination marker).

Return type:

str