From a9db95da335ecb899d5aefc96f9f8e1b1fab7a8d Mon Sep 17 00:00:00 2001 From: =?UTF-8?q?Ole=20Sch=C3=BCtt?= Date: Sat, 19 Jul 2025 16:44:37 +0200 Subject: [PATCH] Adjust tolerance of SE/regtest-2-1/hcl_ot.inp --- tests/SE/regtest-2-1/TEST_FILES.toml | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/tests/SE/regtest-2-1/TEST_FILES.toml b/tests/SE/regtest-2-1/TEST_FILES.toml index 1c3bcd17cf..c8541848d7 100644 --- a/tests/SE/regtest-2-1/TEST_FILES.toml +++ b/tests/SE/regtest-2-1/TEST_FILES.toml @@ -34,6 +34,6 @@ # d-orbitals analytical der "O2-ROKS-PM6.inp" = [{matcher="M003", tol=1.0E-14, ref=-580.14588779285589}] "hcl.inp" = [{matcher="M003", tol=1.0E-14, ref=-279.22122951626676}] -"hcl_ot.inp" = [{matcher="M003", tol=1.0E-11, ref=-279.22456476215723}] +"hcl_ot.inp" = [{matcher="M003", tol=2.0E-11, ref=-279.22456476215723}] "hcl_z.inp" = [{matcher="M003", tol=1.0E-14, ref=-279.21403016786405}] #EOF