fold_s1_to_s4

fold_s1_to_s4(eri, *, validate=True)

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

パラメータ:

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

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

戻り値:

A 4-fold symmetric tensor.

例外:

• 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.

戻り値の型:

S4Integrals