diff --git a/src/mdevaluate/correlation.py b/src/mdevaluate/correlation.py index e833b41..7e89b3d 100644 --- a/src/mdevaluate/correlation.py +++ b/src/mdevaluate/correlation.py @@ -278,11 +278,11 @@ def van_hove_self( if axis == "all": delta_r = (vectors**2).sum(axis=1) ** 0.5 elif axis == "xy" or axis == "yx": - return (vectors[:, [0, 1]]**2).sum(axis=1) ** 0.5 + delta_r = (vectors[:, [0, 1]]**2).sum(axis=1) ** 0.5 elif axis == "xz" or axis == "zx": - return (vectors[:, [0, 2]]**2).sum(axis=1) ** 0.5 + delta_r = (vectors[:, [0, 2]]**2).sum(axis=1) ** 0.5 elif axis == "yz" or axis == "zy": - return (vectors[:, [1, 2]]**2).sum(axis=1) ** 0.5 + delta_r = (vectors[:, [1, 2]]**2).sum(axis=1) ** 0.5 elif axis == "x": delta_r = np.abs(vectors[:, 0]) elif axis == "y":