From 990a976f2d128cd2f7353271792c2f4ebadc1c78 Mon Sep 17 00:00:00 2001 From: "pre-commit-ci[bot]" <66853113+pre-commit-ci[bot]@users.noreply.github.com> Date: Fri, 8 Nov 2024 07:33:20 +0000 Subject: [PATCH] [pre-commit.ci] auto fixes from pre-commit.com hooks for more information, see https://pre-commit.ci --- mdsuite/calculators/coordination_number_calculation.py | 4 +++- 1 file changed, 3 insertions(+), 1 deletion(-) diff --git a/mdsuite/calculators/coordination_number_calculation.py b/mdsuite/calculators/coordination_number_calculation.py index cce27286..bd1ca787 100644 --- a/mdsuite/calculators/coordination_number_calculation.py +++ b/mdsuite/calculators/coordination_number_calculation.py @@ -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