From 2d9c002cd06df742763d187a4536cf26b0db0753 Mon Sep 17 00:00:00 2001 From: Matthias Krack Date: Wed, 21 Dec 2022 09:56:01 +0100 Subject: [PATCH] Adjust tolerance --- tests/QS/regtest-libxc/TEST_FILES | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/tests/QS/regtest-libxc/TEST_FILES b/tests/QS/regtest-libxc/TEST_FILES index ccc9006a4b..a40eb2a988 100644 --- a/tests/QS/regtest-libxc/TEST_FILES +++ b/tests/QS/regtest-libxc/TEST_FILES @@ -18,5 +18,5 @@ diamond_br89_libxc.inp 1 7e-14 H2O-tpss_lsd.inp 1 3e-13 -34.34060245665712 # wb97X2 functional parametrizations H2O-hybrid-wb97x2lp-libxc.inp 1 3e-8 -16.89949370057707 -H2O-hybrid-wb97x2tqz-libxc.inp 1 3e-8 -16.91942374633053 +H2O-hybrid-wb97x2tqz-libxc.inp 1 4e-8 -16.91942374633053 #EOF