Fixed bug in vectors()

2023-11-12 17:37:15 +01:00 · 2023-11-12 17:37:15 +01:00 · a4c365c4a1
commit a4c365c4a1
parent 2904d1e4d8
1 changed files with 1 additions and 1 deletions
--- 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