QuantumPackage/src/ao_one_e_ints/ao_one_e_ints.irp.f

 BEGIN_PROVIDER [ double precision, ao_one_e_integrals,(ao_num,ao_num)]
&BEGIN_PROVIDER [ double precision, ao_one_e_integrals_diag,(ao_num)]
  implicit none
  integer :: i,j,n,l
  BEGIN_DOC
 ! One-electron Hamiltonian in the |AO| basis.
  END_DOC

  IF (read_ao_one_e_integrals) THEN
     call ezfio_get_ao_one_e_ints_ao_one_e_integrals(ao_one_e_integrals)
  ELSE
        ao_one_e_integrals = ao_integrals_n_e + ao_kinetic_integrals

        IF (DO_PSEUDO) THEN
              ao_one_e_integrals += ao_pseudo_integrals
        ENDIF
  ENDIF

  DO j = 1, ao_num
    ao_one_e_integrals_diag(j) = ao_one_e_integrals(j,j)
  ENDDO

  IF (write_ao_one_e_integrals) THEN
       call ezfio_set_ao_one_e_ints_ao_one_e_integrals(ao_one_e_integrals)
       print *,  'AO one-e integrals written to disk'
  ENDIF

END_PROVIDER

BEGIN_PROVIDER [ double precision, ao_one_e_integrals_imag,(ao_num,ao_num)]
  implicit none
  integer :: i,j,n,l
  BEGIN_DOC
 ! One-electron Hamiltonian in the |AO| basis.
  END_DOC

  IF (read_ao_one_e_integrals) THEN
     call ezfio_get_ao_one_e_ints_ao_one_e_integrals_imag(ao_one_e_integrals_imag)
  ELSE
        ao_one_e_integrals_imag = ao_integrals_n_e_imag + ao_kinetic_integrals_imag

        IF (DO_PSEUDO) THEN
              ao_one_e_integrals_imag += ao_pseudo_integrals_imag
        ENDIF
  ENDIF

  IF (write_ao_one_e_integrals) THEN
       call ezfio_set_ao_one_e_ints_ao_one_e_integrals_imag(ao_one_e_integrals_imag)
       print *,  'AO one-e integrals written to disk'
  ENDIF

END_PROVIDER

BEGIN_PROVIDER [ complex*16, ao_one_e_integrals_complex,(ao_num,ao_num)]
  implicit none
  integer :: i,j,n,l
  BEGIN_DOC
 ! One-electron Hamiltonian in the |AO| basis.
  END_DOC
  
  do i=1,ao_num
    do j=1,ao_num
      ao_one_e_integrals_complex(j,i)=dcmplx(ao_one_e_integrals(j,i), &
                                             ao_one_e_integrals_imag(j,i))
    enddo
  enddo

END_PROVIDER