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Fix for shear sims in pbc_points

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sebastiankloth 2023-06-29 09:37:42 +02:00
parent 3f4f155976
commit 2125c4de47
1 changed files with 1 additions and 1 deletions
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mdevaluate/pbc.py
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@ -254,7 +254,7 @@ def pbc_points(coordinates, box, thickness=0, index=False, shear=False):
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 # Shifts the box images in the other directions if they moved more than
# half the box length # half the box length
if box[2, 0] > box[2, 2]: if box[2, 0] > box[2, 2] / 2:
box[2, 0] = box[2, 0] - box[2, 2] box[2, 0] = box[2, 0] - box[2, 2]
grid = np.array( grid = np.array(