diff --git a/plugins/dress_zmq/dress_stoch_routines.irp.f b/plugins/dress_zmq/dress_stoch_routines.irp.f index ef0835dc..b93e7c3b 100644 --- a/plugins/dress_zmq/dress_stoch_routines.irp.f +++ b/plugins/dress_zmq/dress_stoch_routines.irp.f @@ -278,7 +278,9 @@ end dress_dot_F(m) += pt2_F(pt2_J(i)) end do end do - + do m=2,dress_N_cp + dress_dot_F(m) += dress_dot_F(m-1) + end do END_PROVIDER BEGIN_PROVIDER [double precision, dress_e, (N_det_generators, dress_N_cp)] @@ -406,7 +408,7 @@ subroutine dress_collector(zmq_socket_pull, E, relative_error, delta, delta_s2, time = omp_get_wtime() print '(G10.3, 2X, F16.10, 2X, G16.3, 2X, F16.4, A20)', c, avg+E0+E(dress_stoch_istate), eqt, time-time0, '' m += 1 - if(eqt <= 0d0*relative_error) then + if(eqt <= 1d0*relative_error) then found = .true. end if else diff --git a/plugins/dress_zmq/run_dress_slave.irp.f b/plugins/dress_zmq/run_dress_slave.irp.f index e7f2fec4..99e67e67 100644 --- a/plugins/dress_zmq/run_dress_slave.irp.f +++ b/plugins/dress_zmq/run_dress_slave.irp.f @@ -128,11 +128,11 @@ subroutine run_dress_slave(thread,iproce,energy) n_tasks = 0 sum_f = 0 do i=1,N_det_generators + if(dress_P(i) <= will_send) sum_f = sum_f + f(i) if(dress_P(i) == will_send .and. f(i) /= 0) then n_tasks += 1 edI_task(n_tasks) = edI(i) edI_index(n_tasks) = i - sum_f += f(i) end if end do call push_dress_results(zmq_socket_push, will_send, sum_f, edI_task, edI_index, breve_delta_m, 0, n_tasks)