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Bug in variance/norm

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This commit is contained in:
Anthony Scemama 2018-10-29 18:00:45 +01:00
parent 955f2b0b02
commit a24db77952
1 changed files with 10 additions and 6 deletions
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16
src/FCI/zmq_selection.irp.f
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@ -154,10 +154,12 @@ subroutine selection_collector(zmq_socket_pull, b, N, pt2, variance, norm)
integer(ZMQ_PTR), intent(in) :: zmq_socket_pull integer(ZMQ_PTR), intent(in) :: zmq_socket_pull
type(selection_buffer), intent(inout) :: b type(selection_buffer), intent(inout) :: b
integer, intent(in) :: N integer, intent(in) :: N
double precision, intent(out) :: pt2(N_states) double precision, intent(inout) :: pt2(N_states)
double precision, intent(inout) :: variance(N_states)
double precision, intent(inout) :: norm(N_states)
double precision :: pt2_mwen(N_states) double precision :: pt2_mwen(N_states)
double precision :: variance(N_states) double precision :: variance_mwen(N_states)
double precision :: norm(N_states) double precision :: norm_mwen(N_states)
integer(ZMQ_PTR),external :: new_zmq_to_qp_run_socket integer(ZMQ_PTR),external :: new_zmq_to_qp_run_socket
integer(ZMQ_PTR) :: zmq_to_qp_run_socket integer(ZMQ_PTR) :: zmq_to_qp_run_socket
@ -179,12 +181,14 @@ subroutine selection_collector(zmq_socket_pull, b, N, pt2, variance, norm)
more = 1 more = 1
pt2(:) = 0d0 pt2(:) = 0d0
pt2_mwen(:) = 0.d0 pt2_mwen(:) = 0.d0
variance_mwen = 0.d0
norm_mwen = 0.d0
do while (more == 1) do while (more == 1)
call pull_selection_results(zmq_socket_pull, pt2_mwen, variance, norm, b2%val(1), b2%det(1,1,1), b2%cur, task_id, ntask) call pull_selection_results(zmq_socket_pull, pt2_mwen, variance_mwen, norm_mwen, b2%val(1), b2%det(1,1,1), b2%cur, task_id, ntask)
pt2(:) += pt2_mwen(:) pt2(:) += pt2_mwen(:)
variance(:) += variance(:) variance(:) += variance_mwen(:)
norm(:) += norm(:) norm(:) += norm_mwen(:)
do i=1, b2%cur do i=1, b2%cur
call add_to_selection_buffer(b, b2%det(1,1,i), b2%val(i)) call add_to_selection_buffer(b, b2%det(1,1,i), b2%val(i))
if (b2%val(i) > b%mini) exit if (b2%val(i) > b%mini) exit