qimpy.math.spherical_harmonics.get_harmonics_and_prime

get_harmonics_and_prime(l_max, r, compute_prime=True)

Compute real solid harmonics \(r^l Y_{lm}(r)\) for each l <= l_max. First return value is harmonics with l=0, followed by all m for l=1, and so on till l_max along first dimension. Remaining dimensions are same as input r. Second return value is the derivative with respect to r, with the direction as a first additional dimension of length 3. (Empty if compute_prime is False.)

Parameters:
  • l_max (int) –

  • r (Tensor) –

Return type:

tuple[Tensor, Tensor]