diff --git a/plugins/MRCC_Utils/mrcc_utils.irp.f b/plugins/MRCC_Utils/mrcc_utils.irp.f index 7687b451..128c49d7 100644 --- a/plugins/MRCC_Utils/mrcc_utils.irp.f +++ b/plugins/MRCC_Utils/mrcc_utils.irp.f @@ -253,7 +253,7 @@ BEGIN_PROVIDER [ double precision, CI_energy_dressed, (N_states_diag) ] integer :: j character*(8) :: st call write_time(output_determinants) - do j=1,min(N_det,N_states_diag) + do j=1,min(N_det,N_states) write(st,'(I4)') j CI_energy_dressed(j) = CI_electronic_energy_dressed(j) + nuclear_repulsion call write_double(output_determinants,CI_energy_dressed(j),'Energy of state '//trim(st)) diff --git a/src/Davidson/u0Hu0.irp.f b/src/Davidson/u0Hu0.irp.f index 8473e745..13ba2b46 100644 --- a/src/Davidson/u0Hu0.irp.f +++ b/src/Davidson/u0Hu0.irp.f @@ -58,7 +58,6 @@ subroutine H_u_0_nstates(v_0,u_0,H_jj,n,keys_tmp,Nint,N_st,sze_8) integer, external :: align_double !DIR$ ATTRIBUTES ALIGN : $IRP_ALIGN :: vt, ut - if(N_st /= N_states_diag) stop "H_u_0_nstates N_st /= N_states_diag" N_st_8 = align_double(N_st) ASSERT (Nint > 0)