diff --git a/mattergen/common/gemnet/layers/basis_utils.py b/mattergen/common/gemnet/layers/basis_utils.py index 9f06d45c..6a9ff85a 100644 --- a/mattergen/common/gemnet/layers/basis_utils.py +++ b/mattergen/common/gemnet/layers/basis_utils.py @@ -5,6 +5,7 @@ Adapted from https://github.com/FAIR-Chem/fairchem/blob/main/src/fairchem/core/models/gemnet/layers/basis_utils.py. """ +import math from typing import Any, List import numpy as np @@ -106,8 +107,8 @@ def sph_harm_prefactor(l_degree: int, m_order: int) -> float: return ( (2 * l_degree + 1) / (4 * np.pi) - * np.math.factorial(l_degree - abs(m_order)) - / np.math.factorial(l_degree + abs(m_order)) + * math.factorial(l_degree - abs(m_order)) + / math.factorial(l_degree + abs(m_order)) ) ** 0.5 @@ -177,8 +178,8 @@ def associated_legendre_polynomials( for m_order in range(1, l_degree + 1): # P_1(-1), P_2(-1) P_2(-2) P_l_m[l_degree][-m_order] = sym.simplify( (-1) ** m_order - * np.math.factorial(l_degree - m_order) - / np.math.factorial(l_degree + m_order) + * math.factorial(l_degree - m_order) + / math.factorial(l_degree + m_order) * P_l_m[l_degree][m_order] )