From 8f45c04fa2fdab2cae4e42a1de0627579f8738ce Mon Sep 17 00:00:00 2001 From: Matthias Krack Date: Thu, 17 Apr 2025 11:14:11 +0200 Subject: [PATCH] Adapt tolerances --- tests/QS/regtest-bs/TEST_FILES.toml | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/tests/QS/regtest-bs/TEST_FILES.toml b/tests/QS/regtest-bs/TEST_FILES.toml index c604dd50f0..8fa167d712 100644 --- a/tests/QS/regtest-bs/TEST_FILES.toml +++ b/tests/QS/regtest-bs/TEST_FILES.toml @@ -6,7 +6,7 @@ # tests simmetry breaking in initialization for spin polarized systems "cu2cl6_m1_std.inp" = [{matcher="E_total", tol=2.0e-11, ref=-184.39569302685747}] "cu2cl6_m3_std.inp" = [{matcher="E_total", tol=8.0e-11, ref=-184.45451587871787}] -"cu2cl6_m1_clp6cud9.inp" = [{matcher="E_total", tol=2.0e-12, ref=-183.94930042175494}] -"cu2cl6_m3_clp6cud9.inp" = [{matcher="E_total", tol=1.0e-12, ref=-184.42513728857304}] +"cu2cl6_m1_clp6cud9.inp" = [{matcher="E_total", tol=5.0e-12, ref=-183.94930042175494}] +"cu2cl6_m3_clp6cud9.inp" = [{matcher="E_total", tol=5.0e-12, ref=-184.42513728857304}] "o2.inp" = [{matcher="E_total", tol=6.0e-13, ref=-31.67129696553070}] #EOF