Ensuring that symmetry operators are lower case strings.

molssi-seamm · Mar 13, 2024 · 3cb2b70 · 3cb2b70
1 parent d12efcb
commit 3cb2b70
Showing 1 changed file with 4 additions and 0 deletions.
diff --git a/HISTORY.rst b/HISTORY.rst
@@ -1,6 +1,10 @@
 =======
 History
 =======
+2024.3.13 -- Handle uppercase X, Y, Z in strings for symmetry operators
+    * the Crystallographic Open Database CIF files seems to use upper case X, Y, Z in
+      explicit symmetry operators. These need to be lowercased in the code.
+
 2023.12.5 -- Bugfixes for symmetry
     * Fixed issue #72, where symmetry was not correctly handled for trigonal and
       hexagonal cells where atoms had coordinates of 1/3 or 2/3.