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[pre-commit.ci] auto fixes from pre-commit.com hooks
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pre-commit-ci[bot] committed Nov 8, 2024
1 parent b521d67 commit 990a976
Showing 1 changed file with 3 additions and 1 deletion.
4 changes: 3 additions & 1 deletion mdsuite/calculators/coordination_number_calculation.py
Original file line number Diff line number Diff line change
Expand Up @@ -74,7 +74,9 @@ def _integrate_rdf(radii_data: np.array, rdf_data: np.array, density: float) ->
integral_data : np.array
Cumulative integral of the RDF scaled by the radius and denisty.
"""
integral_data = cumulative_trapezoid(y=radii_data[1:] ** 2 * rdf_data[1:], x=radii_data[1:])
integral_data = cumulative_trapezoid(
y=radii_data[1:] ** 2 * rdf_data[1:], x=radii_data[1:]
)

return 4 * np.pi * density * integral_data

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