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https://github.com/LCPQ/quantum_package
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Fixed tests
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@ -258,7 +258,7 @@ subroutine pt2_collector(E, b, tbc, comb, Ncomb, computed, pt2_detail, sumabove,
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time = omp_get_wtime()
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time = omp_get_wtime()
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if(time - timeLast > 3d0 .or. more /= 1) then
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if(time - timeLast > 10d0 .or. more /= 1) then
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timeLast = time
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timeLast = time
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do i=1, first_det_of_teeth(1)-1
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do i=1, first_det_of_teeth(1)-1
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if(.not.(actually_computed(i))) then
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if(.not.(actually_computed(i))) then
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@ -331,7 +331,7 @@ end function
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BEGIN_PROVIDER [ integer, comb_teeth ]
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BEGIN_PROVIDER [ integer, comb_teeth ]
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implicit none
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implicit none
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comb_teeth = 100
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comb_teeth = 200
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END_PROVIDER
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END_PROVIDER
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@ -74,8 +74,10 @@ subroutine run_selection_slave(thread,iproc,energy)
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call disconnect_from_taskserver(zmq_to_qp_run_socket,zmq_socket_push,worker_id)
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call disconnect_from_taskserver(zmq_to_qp_run_socket,zmq_socket_push,worker_id)
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call end_zmq_to_qp_run_socket(zmq_to_qp_run_socket)
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call end_zmq_to_qp_run_socket(zmq_to_qp_run_socket)
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call end_zmq_push_socket(zmq_socket_push,thread)
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call end_zmq_push_socket(zmq_socket_push,thread)
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call delete_selection_buffer(buf)
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if (buf%N > 0) then
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call delete_selection_buffer(buf2)
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call delete_selection_buffer(buf)
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call delete_selection_buffer(buf2)
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endif
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end subroutine
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end subroutine
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@ -119,8 +119,8 @@ subroutine selection_collector(b, N, pt2)
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call delete_selection_buffer(b2)
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call delete_selection_buffer(b2)
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call sort_selection_buffer(b)
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call end_zmq_to_qp_run_socket(zmq_to_qp_run_socket)
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call end_zmq_to_qp_run_socket(zmq_to_qp_run_socket)
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call end_zmq_pull_socket(zmq_socket_pull)
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call end_zmq_pull_socket(zmq_socket_pull)
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call sort_selection_buffer(b)
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end subroutine
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end subroutine
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@ -315,10 +315,7 @@ BEGIN_PROVIDER [ integer(bit_kind), cas_bitmask, (N_int,2,N_cas_bitmask) ]
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call ezfio_has_bitmasks_cas(exists)
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call ezfio_has_bitmasks_cas(exists)
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if (exists) then
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if (exists) then
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print*,'---------------------'
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print*,'CAS BITMASK RESTART'
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call ezfio_get_bitmasks_cas(cas_bitmask)
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call ezfio_get_bitmasks_cas(cas_bitmask)
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print*,'---------------------'
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else
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else
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if(N_generators_bitmask == 1)then
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if(N_generators_bitmask == 1)then
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do j=1, N_cas_bitmask
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do j=1, N_cas_bitmask
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