Merge branch 'fix/nojump_and_npt_caching' into feature/compatibility_robin

2025-08-14 16:35:12 +02:00
parent 0f47475f22 9ff3badab1
commit a0ca2d8657
1 changed files with 1 additions and 1 deletions
--- a/src/mdevaluate/pbc.py
+++ b/src/mdevaluate/pbc.py
@@ -163,7 +163,7 @@ def nojump(frame: CoordinateFrame, usecache: bool = True) -> CoordinateFrame:
                ).T
    
    delta = delta[selection, :]
-    delta = delta @ frame.box
+    delta = np.array(delta @ frame.box)
    return frame - delta