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manhlab
2021-04-07 19:25:18 -04:00
parent fda7245f7c
commit 436de2efd6
8576 changed files with 1013325 additions and 3 deletions
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37
vendor/scrivo/highlight.php/test/detect/irpf90/default.txt vendored Normal file
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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