transpose

interface_connection/latmatcher_interface.py

@@ -68,10 +68,10 @@ def compute_supercell_a(file_material_a, file_material_b,inter_distance , max_an
 
     if file_source_a == ".xyz":
         A_structure = extract_from_xyz(file1)
-        A_cell = A_structure["cell"]
+        A_cell = A_structure["cell"].T
     if file_source_b == ".xyz":
         B_structure = extract_from_xyz(file2)
-        B_cell=B_structure["cell"]
+        B_cell=B_structure["cell"].T
 
 
     if file_source_a == "bespoke.json":