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cumulative dot_F

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This commit is contained in:
Yann Garniron 2018-09-01 17:01:56 +02:00
parent 6a7f04cb79
commit a4a6a69459
2 changed files with 5 additions and 3 deletions
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6
plugins/dress_zmq/dress_stoch_routines.irp.f
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@ -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

2
plugins/dress_zmq/run_dress_slave.irp.f
View File

@ -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)