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https://github.com/LCPQ/quantum_package
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27 lines
547 B
Fortran
27 lines
547 B
Fortran
program qp_ao_ints
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use omp_lib
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implicit none
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BEGIN_DOC
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! Increments a running calculation to compute AO integrals
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END_DOC
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integer :: i
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call switch_qp_run_to_master
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PROVIDE zmq_context
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! Set the state of the ZMQ
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zmq_state = 'ao_integrals'
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! Provide everything needed
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double precision :: integral, ao_bielec_integral
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integral = ao_bielec_integral(1,1,1,1)
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!$OMP PARALLEL DEFAULT(PRIVATE) PRIVATE(i)
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i = omp_get_thread_num()
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call ao_bielec_integrals_in_map_slave_tcp(i)
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!$OMP END PARALLEL
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print *, 'Done'
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end
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