provenance_stamp

qcmanybody.utils.provenance_stamp(routine)[source]

Return dictionary satisfying QCSchema, https://github.com/MolSSI/QCSchema/blob/master/qcschema/dev/definitions.py#L23-L41 with QCManyBody’s credentials for creator and version. The generating routine’s name is passed in through routine.

qcmb.utils.provenance_stamp(__name__)
#> {'creator': 'QCManyBody', 'version': '0.2.2', 'routine': '__main__'}