quantum_package/plugins/Integrals_erf/qp_ao_erf_ints.irp.f

33 lines
743 B
Fortran

program qp_ao_ints
use omp_lib
implicit none
BEGIN_DOC
! Increments a running calculation to compute AO integral_erfs
END_DOC
integer :: i
call switch_qp_run_to_master
zmq_context = f77_zmq_ctx_new ()
! Set the state of the ZMQ
zmq_state = 'ao_integral_erfs'
! Provide everything needed
double precision :: integral_erf, ao_bielec_integral_erf
integral_erf = ao_bielec_integral_erf(1,1,1,1)
character*(64) :: state
call wait_for_state(zmq_state,state)
do while (state /= 'Stopped')
!$OMP PARALLEL DEFAULT(PRIVATE) PRIVATE(i)
i = omp_get_thread_num()
call ao_bielec_integrals_erf_in_map_slave_tcp(i)
!$OMP END PARALLEL
call wait_for_state(zmq_state,state)
enddo
print *, 'Done'
end