diff --git a/tests/bats/qp.bats b/tests/bats/qp.bats index b6bb38ca..0977801d 100644 --- a/tests/bats/qp.bats +++ b/tests/bats/qp.bats @@ -166,7 +166,7 @@ function run_all_1h_1p() { } @test "SCF H2O VDZ pseudo" { - run_HF h2o_pseudo.ezfio -16.9483708496728 + run_HF h2o_pseudo.ezfio -0.169483703903844E+02 } @test "FCI H2O VDZ pseudo" {