diff --git a/test/bats/qp.bats b/test/bats/qp.bats index 07c9b055..ea5d1471 100644 --- a/test/bats/qp.bats +++ b/test/bats/qp.bats @@ -37,13 +37,13 @@ cd ${TEST_DIR} ezfio set_file HBO.ezfio ezfio set perturbation do_pt2_end 1 - ezfio set determinants n_det_max 10000 + ezfio set determinants n_det_max 1000 qp_run full_ci HBO.ezfio energy="$(ezfio get full_ci energy)" - eq $energy -98.9661013229156 1E-6 + eq $energy -98.964772590532306 1E-6 energy_pt2="$(ezfio get full_ci energy_pt2)" - eq $energy_pt2 -98.966293393389 1E-6 + eq $energy_pt2 -98.966227811130594 1E-6 }