quantum_package/plugins/Full_CI_ZMQ/selection_slave.irp.f

program selection_slave
  implicit none
  BEGIN_DOC
! Helper program to compute the PT2 in distributed mode.
  END_DOC

  read_wf = .False.
  SOFT_TOUCH read_wf
  call provide_everything
  call switch_qp_run_to_master
  call run_wf
end

subroutine provide_everything
  PROVIDE H_apply_buffer_allocated mo_bielec_integrals_in_map psi_det_generators psi_coef_generators psi_det_sorted_bit psi_selectors n_det_generators n_states generators_bitmask zmq_context
!   PROVIDE ci_electronic_energy mo_tot_num N_int
end

subroutine run_wf
  use f77_zmq
  implicit none

  integer(ZMQ_PTR), external :: new_zmq_to_qp_run_socket
  integer(ZMQ_PTR) :: zmq_to_qp_run_socket
  double precision :: energy(N_states_diag)
  character*(64) :: state
  
  call provide_everything
  
  zmq_context = f77_zmq_ctx_new ()
  zmq_state = 'selection'
  state = 'Waiting'

  zmq_to_qp_run_socket = new_zmq_to_qp_run_socket()

  do
    call wait_for_state(zmq_state,state)
    if(trim(state) /= 'selection') exit
    print *,  'Getting wave function'
    call zmq_get_psi(zmq_to_qp_run_socket,1,energy,N_states_diag)
 
  
    integer :: rc, i
 
    print *,  'Selection slave running'
 
    !$OMP PARALLEL PRIVATE(i)
    i = omp_get_thread_num()
    call selection_dressing_slave_tcp(i, energy)
    !$OMP END PARALLEL
  end do
end

subroutine update_energy(energy)
  implicit none
  double precision, intent(in) :: energy(N_states_diag)
  BEGIN_DOC
! Update energy when it is received from ZMQ
  END_DOC
  integer :: j,k
  do j=1,N_states
    do k=1,N_det
      CI_eigenvectors(k,j) = psi_coef(k,j)
    enddo
  enddo
  call u_0_S2_u_0(CI_eigenvectors_s2,CI_eigenvectors,N_det,psi_det,N_int)
  if (.True.) then
    do k=1,size(ci_electronic_energy)
      ci_electronic_energy(k) = energy(k)
    enddo
    TOUCH ci_electronic_energy CI_eigenvectors_s2 CI_eigenvectors
  endif

  call write_double(6,ci_energy,'Energy')
end

subroutine selection_dressing_slave_tcp(i,energy)
  implicit none
  double precision, intent(in) :: energy(N_states_diag)
  integer, intent(in)            :: i

  call run_selection_slave(0,i,energy)
end