BEGIN_PROVIDER [ double precision, energy_det_i, (N_det) ] implicit none BEGIN_DOC ! Fock Energy of determinant |I> (sum of epsilon_i) END_DOC integer :: i, k, n integer :: list(elec_alpha_num) do k=1,N_det call bitstring_to_list(psi_det(1,1,k), list, n, N_int) energy_det_i(k) = 0.d0 do i=1,n energy_det_i(k) += fock_matrix_diag_mo(list(i)) enddo call bitstring_to_list(psi_det(1,2,k), list, n, N_int) do i=1,n energy_det_i(k) += fock_matrix_diag_mo(list(i)) enddo enddo END_PROVIDER