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fix: use boys_functions module directly instead of inline hyp1f1 or class reference
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Lines changed: 3 additions & 2 deletions

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gbasis/integrals/point_charge.py

Lines changed: 3 additions & 2 deletions
Original file line numberDiff line numberDiff line change
@@ -1,10 +1,11 @@
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"""Module for computing point charge integrals."""
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import numpy as np
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from scipy.special import hyp1f1 # pylint: disable=E0611
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from gbasis.base_two_symm import BaseTwoIndexSymmetric
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from gbasis.contractions import GeneralizedContractionShell
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from gbasis.integrals._one_elec_int import _compute_one_elec_integrals
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from gbasis.integrals.boys_functions import boys_function_standard
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class PointChargeIntegral(BaseTwoIndexSymmetric):
@@ -114,7 +115,7 @@ def boys_func(orders, weighted_dist, rho=None):
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side.
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"""
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return hyp1f1(orders + 1 / 2, orders + 3 / 2, -weighted_dist) / (2 * orders + 1)
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return boys_function_standard(orders, weighted_dist)
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@classmethod
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def construct_array_contraction(

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