From bfa518009fcdd971f9e2de92a925f32f0c8a3608 Mon Sep 17 00:00:00 2001 From: Hans Pabst Date: Fri, 17 Oct 2025 08:40:19 +0200 Subject: [PATCH] Adjusted tolerance - Ubuntu, GCC 13 (ssmp). --- tests/SE/regtest-2-2/TEST_FILES.toml | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/tests/SE/regtest-2-2/TEST_FILES.toml b/tests/SE/regtest-2-2/TEST_FILES.toml index cbcfdec67e..95c76f80cb 100644 --- a/tests/SE/regtest-2-2/TEST_FILES.toml +++ b/tests/SE/regtest-2-2/TEST_FILES.toml @@ -5,7 +5,7 @@ # for details see cp2k/tools/do_regtest # d-orbitals analytical der continued from regtest-2-1 "Pt-cis-2xpet3Cl2.inp" = [{matcher="M003", tol=8e-14, ref=-3116.62376488246764}] -"ZrF2-PM6.inp" = [{matcher="M003", tol=4e-12, ref=-985.9930664264728}] +"ZrF2-PM6.inp" = [{matcher="M003", tol=5e-12, ref=-985.9930664264728}] "Hg_cat.inp" = [{matcher="M003", tol=1.0E-14, ref=-17.60873200000000}] "Hg_dicat.inp" = [{matcher="M029", tol=1.0E-14, ref=679.86329923655944}] "Hg_dicat2.inp" = [{matcher="M029", tol=1.0E-14, ref=679.86329923655944}]