From 02040bf4393e06f8f2ec94172869a6ab788ddd8d Mon Sep 17 00:00:00 2001 From: Frederick Stein <43850145+fstein93@users.noreply.github.com> Date: Tue, 29 Mar 2022 13:59:33 +0200 Subject: [PATCH] Fix thresholds (#2036) --- tests/QS/regtest-libxc/TEST_FILES | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/tests/QS/regtest-libxc/TEST_FILES b/tests/QS/regtest-libxc/TEST_FILES index 67611bf8b5..ccc9006a4b 100644 --- a/tests/QS/regtest-libxc/TEST_FILES +++ b/tests/QS/regtest-libxc/TEST_FILES @@ -17,6 +17,6 @@ diamond_br89_libxc.inp 1 7e-14 # tpss new input H2O-tpss_lsd.inp 1 3e-13 -34.34060245665712 # wb97X2 functional parametrizations -H2O-hybrid-wb97x2lp-libxc.inp 1 3e-9 -16.89949370057707 -H2O-hybrid-wb97x2tqz-libxc.inp 1 3e-9 -16.91942374633053 +H2O-hybrid-wb97x2lp-libxc.inp 1 3e-8 -16.89949370057707 +H2O-hybrid-wb97x2tqz-libxc.inp 1 3e-8 -16.91942374633053 #EOF