From 2125c4de478159d5646b093a777d05c84816e7cc Mon Sep 17 00:00:00 2001
From: sebastiankloth <kloth@mailbox.org>
Date: Thu, 29 Jun 2023 09:37:42 +0200
Subject: [PATCH] Fix for shear sims in pbc_points

---
 mdevaluate/pbc.py | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/mdevaluate/pbc.py b/mdevaluate/pbc.py
index b851e67..e36f48d 100644
--- a/mdevaluate/pbc.py
+++ b/mdevaluate/pbc.py
@@ -254,7 +254,7 @@ def pbc_points(coordinates, box, thickness=0, index=False, shear=False):
         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] / 2:
             box[2, 0] = box[2, 0] - box[2, 2]
 
     grid = np.array(