program print_2rdm implicit none read_wf = .True. touch read_wf integer :: i,j,k,l double precision :: accu(4),twodm,thr,act_twodm2,integral,get_two_e_integral thr = 1.d-10 accu = 0.d0 do l = 1, mo_num do k = 1, mo_num do j = 1, mo_num do i = 1, mo_num integral = get_two_e_integral(i,j,k,l,mo_integrals_map) accu(1) += act_two_rdm_spin_trace_mo(i,j,k,l) * integral enddo enddo enddo enddo print*,'accu = ',accu(1) end