From 9d01cf9f2f6288cb89fb969ba4cca77cdff7fc43 Mon Sep 17 00:00:00 2001 From: =?UTF-8?q?Ole=20Sch=C3=BCtt?= Date: Fri, 10 Jul 2020 15:16:28 +0200 Subject: [PATCH] Adjust threshold of QMMM/QS/regtest-3/constr_hb_mm.inp --- tests/QMMM/QS/regtest-3/TEST_FILES | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/tests/QMMM/QS/regtest-3/TEST_FILES b/tests/QMMM/QS/regtest-3/TEST_FILES index 67473f0bc7..3a9a0c0a36 100644 --- a/tests/QMMM/QS/regtest-3/TEST_FILES +++ b/tests/QMMM/QS/regtest-3/TEST_FILES @@ -23,7 +23,7 @@ constr.inp 7 7e-12 - # different parallel scheme C4H10-qmmm-gauss-12.inp 1 2E-13 -14.20640099562919 # hbonds selective constraints on QM and MM subsystems -constr_hb_mm.inp 1 9e-14 -30.72831524249530 +constr_hb_mm.inp 1 2e-13 -30.72831524249530 constr_hb_qm.inp 1 8e-14 -30.55019251858206 #constraints water_3_dist.inp 2 1.0E-14 -0.171314409828E+02