program pouet print*,'coucou' read_wf = .True. touch read_wf print*,'m_knowles = ',m_knowles call routine end subroutine routine implicit none integer :: i double precision :: accu(2) accu = 0.d0 do i = 1, N_det call debug_det(psi_det(1,1,i),N_int) enddo do i = 1, nucl_num accu(1) += integral_density_alpha_knowles_becke_per_atom(i) accu(2) += integral_density_beta_knowles_becke_per_atom(i) enddo print*,'accu(1) = ',accu(1) print*,'Nalpha = ',elec_alpha_num print*,'accu(2) = ',accu(2) print*,'Nalpha = ',elec_beta_num accu = 0.d0 do i = 1, mo_tot_num accu(1) += one_body_dm_mo_alpha_average(i,i) accu(2) += one_body_dm_mo_beta_average(i,i) enddo print*,' ' print*,' ' print*,'accu(1) = ',accu(1) print*,'accu(2) = ',accu(2) end