quemb.molbe.eri_sparse_DF.account_for_symmetry

quemb.molbe.eri_sparse_DF.account_for_symmetry(reachable)

Account for permutational symmetry and remove all q that are larger than p.

Parameters:

reachable (Mapping[TypeVar(_T_start, bound= integer), Collection[TypeVar(_T_target, bound= integer)]])

Return type:

dict[TypeVar(_T_start, bound= integer), list[TypeVar(_T_target, bound= integer)]]

Example

>>> account_for_symmetry({0: [0, 1, 2], 1: [0, 1, 2], 2: [0, 1, 2]})
>>> {0: [0], 1: [0, 1], 2: [0, 1, 2]}