get_overlap_ab_from_qcschema

get_overlap_ab_from_qcschema(qcschema)

Builds the alpha-beta spin orbital overlap matrix from a QCSchema instance.

প্যারামিটার:

qcschema (QCSchema) -- the QCSchema object from which to build the problem.

রেইজেস:

AttributeError -- when the overlap or MO coefficients are missing.

রিটার্নস:

The overlap matrix as a 2-dimensional numpy array or None if the overlap is equal to the identity matrix.

রিটার্ন টাইপ:

ndarray | None