diff --git a/tests/QMMM/QS/regtest-4/TEST_FILES b/tests/QMMM/QS/regtest-4/TEST_FILES index 0b7349d9b5..9b6f31169a 100644 --- a/tests/QMMM/QS/regtest-4/TEST_FILES +++ b/tests/QMMM/QS/regtest-4/TEST_FILES @@ -12,6 +12,6 @@ crys_per_qmmm_none.inp 1 7e-12 -0. # check zero of the potential for charged QM systems acn-qmmm-re.inp 1 1e-12 -14.78512402427952 # check a qm/mm nasty topology -acn-conn-1.inp 1 4e-09 -291.98859134043812 +acn-conn-1.inp 1 4e-09 -291.88277947852032 wat_nacl.inp 11 2e-13 -16.691503876246994 #EOF diff --git a/tests/QS/regtest-gpw-2-1/TEST_FILES b/tests/QS/regtest-gpw-2-1/TEST_FILES index 854be5bb11..7a9c37e620 100644 --- a/tests/QS/regtest-gpw-2-1/TEST_FILES +++ b/tests/QS/regtest-gpw-2-1/TEST_FILES @@ -11,7 +11,7 @@ H2O-2.inp 1 3e-14 H2O-3.inp 1 4e-14 -17.14553123442895 H2O-4.inp 1 3e-14 -17.14677584577026 # core ham bug -ZrO.inp 1 5e-14 -62.20520122490129 +ZrO.inp 1 5e-14 -62.20561057734427 # new xc routines Ar-12.inp 1 3e-13 -21.042519995759061 Ar-13.inp 1 8e-13 -21.12624107439710 diff --git a/tests/QS/regtest-gpw-8/TEST_FILES b/tests/QS/regtest-gpw-8/TEST_FILES index 5f8aa133ae..d5808d3c32 100644 --- a/tests/QS/regtest-gpw-8/TEST_FILES +++ b/tests/QS/regtest-gpw-8/TEST_FILES @@ -1,5 +1,5 @@ # bugs in berry phase dipole -bug_ai_moments.inp 39 1.0E-14 0.28412117 +bug_ai_moments.inp 39 1.0E-14 0.28391764 # si8_broy_stm.inp 1 2e-13 -30.92831595126399 si8_broy_wc.inp 23 2e-06 1902.3469570831001