Added a comment for the latest change in pbc_points.

2023-06-28 13:55:38 +02:00 · 2023-06-28 13:55:38 +02:00 · 3f4f155976
commit 3f4f155976
parent 76e44dde49
1 changed files with 2 additions and 0 deletions
--- a/mdevaluate/pbc.py
+++ b/mdevaluate/pbc.py
@ -252,6 +252,8 @@ def pbc_points(coordinates, box, thickness=0, index=False, shear=False):
    """
    if shear:
        box[2, 0] = box[2, 0] % box[2, 2]
+        # Shifts the box images in the other directions if they moved more than
+        # half the box length
        if box[2, 0] > box[2, 2]:
            box[2, 0] = box[2, 0] - box[2, 2]