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Fix numpy 2.x compatibility: replace np.math.factorial with math.factorial #241

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Fix numpy 2.x compatibility: replace np.math.factorial with math.factorial #241

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9 changes: 5 additions & 4 deletions mattergen/common/gemnet/layers/basis_utils.py
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Original file line number Diff line number Diff line change
Expand Up @@ -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
Expand Down Expand Up @@ -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


Expand Down Expand Up @@ -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]
)

Expand Down