diff --git a/tests/bats/qp.bats b/tests/bats/qp.bats index 0977801d..6f1c916b 100644 --- a/tests/bats/qp.bats +++ b/tests/bats/qp.bats @@ -155,7 +155,7 @@ function run_all_1h_1p() { ezfio set determinants read_wf True qp_run mrcc_cassd $INPUT energy="$(ezfio get mrcc_cassd energy)" - eq $energy -76.2288641014933 1.e-4 + eq $energy -76.2286679037553 1.e-4 } @@ -166,7 +166,7 @@ function run_all_1h_1p() { } @test "SCF H2O VDZ pseudo" { - run_HF h2o_pseudo.ezfio -0.169483703903844E+02 + run_HF h2o_pseudo.ezfio -16.9483708495521 } @test "FCI H2O VDZ pseudo" {