diff --git a/plugins/MRCC_Utils/H_apply.irp.f b/plugins/MRCC_Utils/H_apply.irp.f index decc5a75..df2b67a0 100644 --- a/plugins/MRCC_Utils/H_apply.irp.f +++ b/plugins/MRCC_Utils/H_apply.irp.f @@ -24,5 +24,12 @@ s.data["size_max"] = "3072" print s + +s = H_apply_zmq("mrcc_PT2") +s.energy = "ci_electronic_energy_dressed" +s.set_perturbation("epstein_nesbet_2x2") +s.unset_openmp() +print s + END_SHELL