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Added a comment for the latest change in pbc_points.

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sebastiankloth 2023-06-28 13:55:38 +02:00
parent 76e44dde49
commit 3f4f155976
1 changed files with 2 additions and 0 deletions
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mdevaluate/pbc.py
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@ -252,6 +252,8 @@ def pbc_points(coordinates, box, thickness=0, index=False, shear=False):
""" """
if shear: if shear:
box[2, 0] = box[2, 0] % box[2, 2] 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]: if box[2, 0] > box[2, 2]:
box[2, 0] = box[2, 0] - box[2, 2] box[2, 0] = box[2, 0] - box[2, 2]