From 3e9a8cfe6f679038b5380f93c11c939b220241ce Mon Sep 17 00:00:00 2001 From: =?UTF-8?q?Philipp=20R=C3=BC=C3=9Fmann?= Date: Tue, 26 Jul 2022 09:54:39 +0200 Subject: [PATCH] Update reference values for KKRimp nosratrick test --- tests/KKRimp/test_case_kkrflex_host_in_host/imp/test_verify.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/tests/KKRimp/test_case_kkrflex_host_in_host/imp/test_verify.py b/tests/KKRimp/test_case_kkrflex_host_in_host/imp/test_verify.py index 557c320d..b907e774 100644 --- a/tests/KKRimp/test_case_kkrflex_host_in_host/imp/test_verify.py +++ b/tests/KKRimp/test_case_kkrflex_host_in_host/imp/test_verify.py @@ -52,7 +52,7 @@ def test_SOC_nosavewf(self): standard_scf_test('test_run_nosavewf', cmpvals=CMP_SOC) def test_SOC_nosratrick(self): - standard_scf_test('test_run_nosratrick', cmpvals=CMP_SOC) + standard_scf_test('test_run_nosratrick', cmpvals=[25.494780, 1.1313e-03, 3.181288, -12729.32114978]) def test_Jij(self): check_Jijs('test_run_Jij', refpath='host_in_host_Jijs')