From a50edac62d37bbe81eb2e60a1fa2561bf7ccad12 Mon Sep 17 00:00:00 2001 From: Sebastian Ehlert <28669218+awvwgk@users.noreply.github.com> Date: Sat, 28 Sep 2024 12:40:52 +0200 Subject: [PATCH] Update DSDBLYP name --- assets/parameters.toml | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/assets/parameters.toml b/assets/parameters.toml index ae07e54b..cb880dbe 100644 --- a/assets/parameters.toml +++ b/assets/parameters.toml @@ -492,7 +492,7 @@ d3.bj = {s6=0.40, a1=0.0, s8=0.0, a2=6.0, doi="10.1002/jcc.23391"} [parameter.dsdbvwn5] d3.bj = {s6=0.61, a1=0.0, s8=0.0, a2=5.2, doi="10.1002/jcc.23391"} -[parameter.dsdblyp_km13] +[parameter.dsdblyp_2013] d3.bj = {s6=0.57, a1=0.0, s8=0.0, a2=5.4, doi="10.1002/jcc.23391"} [parameter.dsdbpbe]