From b4f9b988767bd48007f36fc0c265bb35d8467e14 Mon Sep 17 00:00:00 2001 From: Sebastian Kloth Date: Thu, 28 Dec 2023 13:29:43 +0100 Subject: [PATCH] Switched to numpy histogram --- src/mdevaluate/correlation.py | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/src/mdevaluate/correlation.py b/src/mdevaluate/correlation.py index edcd942..3b67777 100644 --- a/src/mdevaluate/correlation.py +++ b/src/mdevaluate/correlation.py @@ -8,7 +8,7 @@ from functools import partial from scipy.spatial import KDTree from .autosave import autosave_data -from .utils import coherent_sum, histogram +from .utils import coherent_sum from .pbc import pbc_diff, pbc_points from .coordinates import Coordinates, CoordinateFrame, displacements_without_drift @@ -311,7 +311,7 @@ def van_hove_distinct( ) ** 2 ).sum(axis=-1) ** 0.5 - hist = histogram(dist, bins=bins)[0] + hist = np.histogram(dist, bins=bins)[0] return hist / N