mirror of
https://github.com/LCPQ/quantum_package
synced 2024-08-25 05:51:46 +02:00
experimental - reversed past and futur
This commit is contained in:
parent
418190168e
commit
03958d15a4
@ -128,7 +128,7 @@ subroutine ZMQ_selection(N, pt2)
|
||||
integer :: i
|
||||
integer, external :: omp_get_thread_num
|
||||
double precision, intent(out) :: pt2(N_states)
|
||||
|
||||
call flip_generators()
|
||||
call new_parallel_job(zmq_to_qp_run_socket,'selection')
|
||||
|
||||
call create_selection_buffer(N, N*2, b)
|
||||
@ -149,6 +149,7 @@ subroutine ZMQ_selection(N, pt2)
|
||||
endif
|
||||
!$OMP END PARALLEL
|
||||
call end_parallel_job(zmq_to_qp_run_socket, 'selection')
|
||||
call flip_generators()
|
||||
call fill_H_apply_buffer_no_selection(b%cur,b%det,N_int,0) !!! PAS DE ROBIN
|
||||
call copy_H_apply_buffer_to_wf()
|
||||
end subroutine
|
||||
|
@ -28,7 +28,6 @@ subroutine selection_slave(thread,iproc)
|
||||
buf%N = 0
|
||||
ctask = 1
|
||||
pt2 = 0d0
|
||||
|
||||
do
|
||||
call get_task_from_taskserver(zmq_to_qp_run_socket,worker_id, task_id(ctask), task)
|
||||
done = task_id(ctask) == 0
|
||||
|
@ -330,6 +330,24 @@ END_PROVIDER
|
||||
|
||||
END_PROVIDER
|
||||
|
||||
subroutine flip_generators()
|
||||
integer :: i,j,k
|
||||
integer(bit_kind) :: detmp(N_int,2)
|
||||
double precision :: tmp(N_states)
|
||||
|
||||
do i=1,N_det_generators/2
|
||||
detmp(:,:) = psi_det_sorted(:,:,i)
|
||||
tmp = psi_coef_sorted(i, :)
|
||||
psi_det_sorted(:,:,i) = psi_det_sorted(:,:,N_det_generators+1-i)
|
||||
psi_coef_sorted(i, :) = psi_coef_sorted(N_det_generators+1-i, :)
|
||||
|
||||
psi_det_sorted(:,:,N_det_generators+1-i) = detmp(:,:)
|
||||
psi_coef_sorted(N_det_generators+1-i, :) = tmp
|
||||
end do
|
||||
|
||||
TOUCH psi_det_sorted psi_coef_sorted psi_average_norm_contrib_sorted
|
||||
end subroutine
|
||||
|
||||
BEGIN_PROVIDER [ integer(bit_kind), psi_det_sorted_bit, (N_int,2,psi_det_size) ]
|
||||
&BEGIN_PROVIDER [ double precision, psi_coef_sorted_bit, (psi_det_size,N_states) ]
|
||||
implicit none
|
||||
|
Loading…
Reference in New Issue
Block a user