From 2bf9a093b05b87abc09a24f5c5238c03980c530c Mon Sep 17 00:00:00 2001 From: Paul Saxe Date: Fri, 10 Nov 2023 05:40:32 -0500 Subject: [PATCH] Preparing for release --- HISTORY.rst | 6 ++++++ 1 file changed, 6 insertions(+) diff --git a/HISTORY.rst b/HISTORY.rst index e66cab3..87497c4 100644 --- a/HISTORY.rst +++ b/HISTORY.rst @@ -1,6 +1,12 @@ ======= History ======= +2023.11.10 -- Standard structure handling and cleaned up output + * Switched to standard structure handling and naming, giving consistent options + across SEAMM. + * Corrected issues with the model name in the properties. + * Generally cleaned up the output, mainly indentation. + 2023.11.8 -- Bugfix: Fermi level being an array caused problems * The Fermi level in DFTB+ is a vector with 1 or 2 elements, depending whether the calculation is spin-polarized. DFTB+ can handle different Fermi levels, but it is