From 4db2fe8a59cd4198f2d39d6f565bbe1d91741bbd Mon Sep 17 00:00:00 2001 From: =?UTF-8?q?Ole=20Sch=C3=BCtt?= Date: Thu, 12 May 2022 12:59:11 +0200 Subject: [PATCH] Adjust tolerance of H2O_pao_exp_cluster_MD.inp --- tests/QS/regtest-pao-2/TEST_FILES | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/tests/QS/regtest-pao-2/TEST_FILES b/tests/QS/regtest-pao-2/TEST_FILES index bb8e4019d6..71707f2495 100644 --- a/tests/QS/regtest-pao-2/TEST_FILES +++ b/tests/QS/regtest-pao-2/TEST_FILES @@ -11,7 +11,7 @@ H2O_pao_gth.inp 11 9e-05 - H2O_pao_exp_cluster.inp 11 1e-08 -17.202700812326320 H2O_pao_exp_cluster_sp.inp 11 4e-07 -17.202700812326320 H2O_pao_exp_sp.inp 11 2e-07 -17.202700812326320 -H2O_pao_exp_cluster_MD.inp 2 1e-07 -17.2025787384 +H2O_pao_exp_cluster_MD.inp 2 2e-05 -17.2025787384 # # hybrids calculations where Oxygen uses full primary basis set #