diff --git a/tests/QMMM/QS/regtest-1/TEST_FILES b/tests/QMMM/QS/regtest-1/TEST_FILES index 8fd71afdaa..2c1e76f3c8 100644 --- a/tests/QMMM/QS/regtest-1/TEST_FILES +++ b/tests/QMMM/QS/regtest-1/TEST_FILES @@ -16,7 +16,7 @@ H2O-qmmm-gauss-8.inp 1 2e-13 H2O-qmmm-gauss-9.inp 1 5e-14 -16.69361998788292 H2O-qmmm-gauss-10.inp 1 2e-13 -16.76034008277382 H2O-qmmm-gauss-11.inp 7 1.0E-14 -16.5977721447 -H2O-qmmm-gauss-12.inp 1 6e-14 -16.85836829399367 +H2O-qmmm-gauss-12.inp 1 2e-13 -16.85836829399367 H2O-qmmm-gauss-13.inp 1 6e-13 -16.67363982385439 H2O-qmmm-none-1.inp 7 1.0E-14 -16.8984814276 H2O-qmmm-gauss-14.inp 7 1.0E-14 -17.1808434448 diff --git a/tests/QMMM/QS/regtest-3/TEST_FILES b/tests/QMMM/QS/regtest-3/TEST_FILES index a205dad449..4c13bb33cd 100644 --- a/tests/QMMM/QS/regtest-3/TEST_FILES +++ b/tests/QMMM/QS/regtest-3/TEST_FILES @@ -21,7 +21,7 @@ sio2-qmmm-gauss-2.inp 1 3e-13 -4 sio2-qmmm-gauss-3.inp 1 2e-13 -488.02714102063817 constr.inp 7 7e-12 -28.231415141199999 # different parallel scheme -C4H10-qmmm-gauss-12.inp 1 1E-13 -14.20640099562919 +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_qm.inp 1 8e-14 -30.55019251858206