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https://github.com/LCPQ/quantum_package
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cumulative dot_F
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@ -278,7 +278,9 @@ end
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dress_dot_F(m) += pt2_F(pt2_J(i))
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end do
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end do
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do m=2,dress_N_cp
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dress_dot_F(m) += dress_dot_F(m-1)
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end do
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END_PROVIDER
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BEGIN_PROVIDER [double precision, dress_e, (N_det_generators, dress_N_cp)]
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@ -406,7 +408,7 @@ subroutine dress_collector(zmq_socket_pull, E, relative_error, delta, delta_s2,
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time = omp_get_wtime()
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print '(G10.3, 2X, F16.10, 2X, G16.3, 2X, F16.4, A20)', c, avg+E0+E(dress_stoch_istate), eqt, time-time0, ''
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m += 1
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if(eqt <= 0d0*relative_error) then
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if(eqt <= 1d0*relative_error) then
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found = .true.
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end if
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else
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@ -128,11 +128,11 @@ subroutine run_dress_slave(thread,iproce,energy)
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n_tasks = 0
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sum_f = 0
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do i=1,N_det_generators
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if(dress_P(i) <= will_send) sum_f = sum_f + f(i)
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if(dress_P(i) == will_send .and. f(i) /= 0) then
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n_tasks += 1
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edI_task(n_tasks) = edI(i)
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edI_index(n_tasks) = i
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sum_f += f(i)
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end if
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end do
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call push_dress_results(zmq_socket_push, will_send, sum_f, edI_task, edI_index, breve_delta_m, 0, n_tasks)
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