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Directory :  /var/www/bahcrestline/core/vendor/scrivo/highlight.php/test/detect/irpf90/

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Current File : /var/www/bahcrestline/core/vendor/scrivo/highlight.php/test/detect/irpf90/default.txt
 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
 BEGIN_DOC
 ! Determinants on which we apply <i|H|psi> for perturbation.
 ! They are sorted by determinants interpreted as integers. Useful
 ! to accelerate the search of a random determinant in the wave
 ! function.
 END_DOC
 integer :: i,j,k
 integer, allocatable ::  iorder(:)
 integer*8, allocatable :: bit_tmp(:)
 integer*8, external :: det_search_key

 allocate ( iorder(N_det), bit_tmp(N_det) )

 do i=1,N_det
   iorder(i) = i
   !DIR$ FORCEINLINE
   bit_tmp(i) = det_search_key(psi_det(1,1,i),N_int)
 enddo
 call isort(bit_tmp,iorder,N_det)
 !DIR$ IVDEP
 do i=1,N_det
  do j=1,N_int
    psi_det_sorted_bit(j,1,i) = psi_det(j,1,iorder(i))
    psi_det_sorted_bit(j,2,i) = psi_det(j,2,iorder(i))
  enddo
  do k=1,N_states
    psi_coef_sorted_bit(i,k) = psi_coef(iorder(i),k)
  enddo
 enddo

 deallocate(iorder, bit_tmp)

END_PROVIDER


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