fold_s1_to_s4

fold_s1_to_s4(eri, *, validate=True)

Folds a 4-dimensional tensor to 4-fold symmetries (2-dimensional).

প্যারামিটার:

• eri (Tensor | ndarray | SparseArray) -- the 4-dimensional tensor to fold.

• validate (bool) -- when set to False, the requirements of eri are not validated.

রিটার্নস:

A 4-fold symmetric tensor.

রেইজেস:

• ValueError -- if eri is not 4-dimensional.

• ValueError -- if eri does not satisfy the permutational symmetries dictated by the chemist' convention for the ordering of two-body electronic integrals.

রিটার্ন টাইপ:

S4Integrals