diff --git a/src/csf/connected_to_ref.irp.f b/src/csf/connected_to_ref.irp.f index c6488976..5362d448 100644 --- a/src/csf/connected_to_ref.irp.f +++ b/src/csf/connected_to_ref.irp.f @@ -14,7 +14,7 @@ integer*8 function configuration_search_key(cfg,Nint) i = shiftr(elec_alpha_num, bit_kind_shift)+1 configuration_search_key = int(shiftr(ior(cfg(i,1),cfg(i,2)),1)+sum(cfg),8) - mask = X'00FFFFFFFFFFFFFF' + mask = int(Z'00FFFFFFFFFFFFFF',8) configuration_search_key = iand(mask,configuration_search_key) n_open_shells = 1 diff --git a/src/davidson/diagonalization_hcsf_dressed.irp.f b/src/davidson/diagonalization_hcsf_dressed.irp.f index 08f6a9a0..2a83cc28 100644 --- a/src/davidson/diagonalization_hcsf_dressed.irp.f +++ b/src/davidson/diagonalization_hcsf_dressed.irp.f @@ -284,8 +284,8 @@ subroutine davidson_diag_csf_hjj(dets_in,u_in,H_jj,energies,dim_in,sze,sze_csf,N enddo ! Make random verctors eigenstates of S2 - call convertWFfromDETtoCSF(N_st_diag,U,U_csf) - call convertWFfromCSFtoDET(N_st_diag,U_csf,U) + call convertWFfromDETtoCSF(N_st_diag,U(1,1),U_csf(1,1)) + call convertWFfromCSFtoDET(N_st_diag,U_csf(1,1),U(1,1)) do while (.not.converged) itertot = itertot+1