diff --git a/tests/QS/regtest-nmr-6/TEST_FILES b/tests/QS/regtest-nmr-6/TEST_FILES index 0c4228926c..1201122a51 100644 --- a/tests/QS/regtest-nmr-6/TEST_FILES +++ b/tests/QS/regtest-nmr-6/TEST_FILES @@ -8,15 +8,15 @@ ch4-gapw-2.inp 14 2e-04 ch4-gapw-3.inp 14 2e-03 0.333051E+03 ch4-gapw-4.inp 14 2e-03 0.333493E+03 ch4-gapw-5.inp 14 2.0E-03 0.290901E+03 -no-gapw-1.inp 14 3e-02 1586.4400000000001 +no-gapw-1.inp 14 3.1e-02 1586.4400000000001 no-gapw-2.inp 14 1e-04 13170.600000000001 no-gapw-3.inp 14 2e-04 13191.100000000000 no-gapw-4.inp 14 3e-01 329.47000000000003 no-gapw-5.inp 14 1e-03 16357.4 ch4-gapw-1-distributed.inp 14 2e-03 0.332896E+03 ch4-gapw-1-replicated.inp 14 2e-03 0.332896E+03 -no-gapw-1-distributed.inp 14 3e-02 1586.5600000000000 -no-gapw-1-replicated.inp 14 3e-02 1586.5600000000000 +no-gapw-1-distributed.inp 14 3.1e-02 1586.5600000000000 +no-gapw-1-replicated.inp 14 3.1e-02 1586.5600000000000 w2_qmmm-1.inp 14 8e-03 229.358 w2_qmmm-2.inp 14 2e-03 230.05799999999999 w2_qmmm-3.inp 14 4e-03 230.13999999999999