From a4c365c4a19bce0c0d9c893621dcca79176c417d Mon Sep 17 00:00:00 2001 From: Sebastian Kloth Date: Sun, 12 Nov 2023 17:37:15 +0100 Subject: [PATCH] Fixed bug in vectors() --- src/mdevaluate/coordinates.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/src/mdevaluate/coordinates.py b/src/mdevaluate/coordinates.py index 3cd737f..5fc576a 100755 --- a/src/mdevaluate/coordinates.py +++ b/src/mdevaluate/coordinates.py @@ -514,7 +514,7 @@ def vectors(coordinates, atoms_a, atoms_b, normed=False): coords_b = coords_b.mean(axis=0) vec = pbc_diff(coords_a, coords_b, box=box) if normed: - vec / np.linalg.norm(vec, axis=-1).reshape(-1, 1) + vec /= np.linalg.norm(vec, axis=-1).reshape(-1, 1) vec.reference = coords_a return vec