quantum_package/src/Integrals_Monoelec/mo_mono_ints.irp.f

BEGIN_PROVIDER [ double precision, mo_mono_elec_integral,(mo_tot_num_align,mo_tot_num)]
  implicit none
  integer                        :: i,j,n,l
  BEGIN_DOC
  ! array of the mono electronic hamiltonian on the MOs basis :
  ! sum of the kinetic and nuclear electronic potential
  END_DOC
  print*,'Providing the mono electronic integrals'
  if (read_only_mo_one_integrals) then
    print*, 'Reading the mono electronic integrals from disk'
    call read_one_e_integrals('mo_one_integral', mo_mono_elec_integral,      &
        size(mo_mono_elec_integral,1), size(mo_mono_elec_integral,2))
    print *,  'MO N-e integrals read from disk'
  else
   do j = 1, mo_tot_num
     do i = 1, mo_tot_num
       mo_mono_elec_integral(i,j) = mo_nucl_elec_integral(i,j) + &
                                    mo_kinetic_integral(i,j) + mo_pseudo_integral(i,j)
     enddo
   enddo
  endif

! if (write_mo_one_integrals) then
!   call write_one_e_integrals('mo_one_integral', mo_mono_elec_integral, &
!       size(mo_mono_elec_integral,1), size(mo_mono_elec_integral,2))
!   print *,  'MO N-e integrals written to disk'
! endif

END_PROVIDER