program read_integrals PROVIDE ezfio_filename call ezfio_set_integrals_monoelec_disk_access_ao_one_integrals("None") call run end subroutine run use map_module implicit none integer :: iunit integer :: getunitandopen integer ::i,j,k,l double precision :: integral double precision, allocatable :: A(:,:) integer :: n_integrals integer(key_kind), allocatable :: buffer_i(:) real(integral_kind), allocatable :: buffer_values(:) integer(key_kind) :: key call ezfio_set_integrals_monoelec_disk_access_ao_one_integrals("Read") allocate(buffer_i(ao_num**4/8), buffer_values(ao_num**4/8)) iunit = getunitandopen('bielec_ao','r') n_integrals=0 do read (iunit,*,end=13) i,j,k,l, integral n_integrals += 1 call bielec_integrals_index(i, j, k, l, buffer_i(n_integrals) ) buffer_values(n_integrals) = integral enddo 13 continue close(iunit) call insert_into_ao_integrals_map(n_integrals,buffer_i,buffer_values) call map_sort(ao_integrals_map) call map_unique(ao_integrals_map) call map_save_to_disk(trim(ezfio_filename)//'/work/ao_ints',ao_integrals_map) call ezfio_set_integrals_bielec_disk_access_ao_integrals('Read') end