spherical_harmonics#

cuequivariance.descriptors.spherical_harmonics(
ir_vec: Irrep,
ls: list[int],
layout: IrrepsLayout = (irrep, mul),
) EquivariantTensorProduct#

subscripts: vector[],...,vector[],Yl[]

Parameters:
  • ir_vec (Irrep) – irrep of the input vector, for example cue.SO3(1).

  • ls (list of int) – list of spherical harmonic degrees, for example [0, 1, 2].

  • layout (IrrepsLayout, optional) – layout of the output. Defaults to cue.ir_mul.

Returns:

The descriptor.

Return type:

cue.EquivariantTensorProduct

Examples

>>> spherical_harmonics(cue.SO3(1), [0, 1, 2])
EquivariantTensorProduct((1)^(0..2) -> 0+1+2)