provenance_stamp¶

psi4.driver.p4util.provenance_stamp(routine, module=None)[source]¶

Prepare QCSchema Provenance with PSI4 credentials.

Parameters:

routine (str) – Name of driver function generating the QCSchema.
module (Optional[str]) – Primary contributing PSI4 library, like ccenergy or dfmp2.

Returns:

provenance – Dictionary satisfying QCSchema, with PSI4 credentials for creator and version. https://github.com/MolSSI/QCSchema/blob/master/qcschema/dev/definitions.py#L23-L41

Return type:

Dict[str, str]