xnn.gnn.featurizers.cartesian.multinomial_coefficient#

xnn.gnn.featurizers.cartesian.multinomial_coefficient(lxlylz)[source]#

Multinomial coefficient l! / (lx! ly! lz!) of one angular triple.

This is the combinatorial prefactor C(l) of paper eq. 4, used when contracting pairs of Cartesian angular features into rotational invariants.

Parameters:

lxlylz (sequence of int) – The (lx, ly, lz) triple.

Returns:

(lx+ly+lz)! / (lx! ly! lz!).

Return type:

int