From 3cb2b702b7d3d11258bd6a7dc5484a3424033c39 Mon Sep 17 00:00:00 2001 From: Paul Saxe Date: Wed, 13 Mar 2024 15:06:21 -0400 Subject: [PATCH] Ensuring that symmetry operators are lower case strings. --- HISTORY.rst | 4 ++++ 1 file changed, 4 insertions(+) diff --git a/HISTORY.rst b/HISTORY.rst index 860a2aa..6b181c2 100644 --- 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.