9
1
mirror of https://github.com/QuantumPackage/qp2.git synced 2024-06-22 12:32:04 +02:00
qp2/src/determinants/prune_wf.irp.f

36 lines
689 B
Fortran

BEGIN_PROVIDER [ logical, pruned, (N_det) ]
implicit none
BEGIN_DOC
! True if determinant is removed by pruning
END_DOC
pruned(:) = .False.
if (pruning <= 0.d0) then
return
endif
integer :: i,j,k,ndet_new,nsop_max
double precision :: thr
if (s2_eig) then
nsop_max = max(1,int ( dble(N_occ_pattern) * (1.d0 - pruning) + 0.5d0 ))
do i=1,N_det
k = det_to_occ_pattern(i)
pruned(i) = psi_occ_pattern_sorted_order_reverse(k) > nsop_max
enddo
else
ndet_new = max(1,int( dble(N_det) * (1.d0 - pruning) + 0.5d0 ))
thr = psi_average_norm_contrib_sorted(ndet_new)
do i=1, N_det
pruned(i) = psi_average_norm_contrib(i) < thr
enddo
endif
END_PROVIDER