program fcidump implicit none integer :: i,j,k,l integer :: ii(8), jj(8), kk(8),ll(8) integer*8 :: m character*(2), allocatable :: A(:) print *, '&FCI NORB=', mo_tot_num, ', NELEC=', elec_num, & ', MS2=', (elec_alpha_num-elec_beta_num), ',' allocate (A(mo_tot_num)) A = '1,' print *, 'ORBSYM=', (A(i), i=1,mo_tot_num) print *,'ISYM=0,' print *,'/' deallocate(A) integer*8 :: i8, k1 integer(key_kind), allocatable :: keys(:) double precision, allocatable :: values(:) integer(cache_map_size_kind) :: n_elements, n_elements_max PROVIDE mo_bielec_integrals_in_map double precision :: get_mo_bielec_integral, integral do l=1,mo_tot_num do k=1,mo_tot_num do j=l,mo_tot_num do i=k,mo_tot_num if (i>=j) then integral = get_mo_bielec_integral(i,j,k,l,mo_integrals_map) if (dabs(integral) > mo_integrals_threshold) then print *, integral, i,k,j,l endif end if enddo enddo enddo enddo do j=1,mo_tot_num do i=j,mo_tot_num integral = mo_mono_elec_integral(i,j) if (dabs(integral) > mo_integrals_threshold) then print *, integral, i,j,0,0 endif enddo enddo print *, 0.d0, 0, 0, 0, 0 end