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qp2/src/determinants/prune_wf.irp.f

36 lines
706 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,ncfg_max
double precision :: thr
! if (s2_eig) then
!
! ncfg_max = max(1,int ( dble(N_configuration) * (1.d0 - pruning) + 0.5d0 ))
!
! do i=1,N_det
! k = det_to_configuration(i)
! pruned(i) = psi_configuration_sorted_order_reverse(k) > ncfg_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