mirror of
https://github.com/QuantumPackage/qp2.git
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216 lines
5.3 KiB
Fortran
216 lines
5.3 KiB
Fortran
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logical function det_inf(key1, key2, Nint)
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use bitmasks
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implicit none
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BEGIN_DOC
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! Ordering function for determinants.
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END_DOC
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integer,intent(in) :: Nint
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integer(bit_kind),intent(in) :: key1(Nint, 2), key2(Nint, 2)
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integer :: i,j
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det_inf = .false.
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do i=1,2
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do j=Nint,1,-1
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if(key1(j,i) < key2(j,i)) then
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det_inf = .true.
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return
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else if(key1(j,i) > key2(j,i)) then
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return
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end if
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end do
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end do
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end function
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subroutine tamiser(key, idx, no, n, Nint, N_key)
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use bitmasks
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implicit none
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integer,intent(in) :: no, n, Nint, N_key
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integer(bit_kind),intent(inout) :: key(Nint, 2, N_key)
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integer,intent(inout) :: idx(N_key)
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integer :: k,j,tmpidx
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integer(bit_kind) :: tmp(Nint, 2)
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logical :: det_inf
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integer :: ni
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k = no
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j = 2*k
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do while(j <= n)
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if(j < n) then
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if (det_inf(key(1,1,j), key(1,1,j+1), Nint)) then
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j = j+1
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endif
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endif
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if(det_inf(key(1,1,k), key(1,1,j), Nint)) then
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do ni=1,Nint
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tmp(ni,1) = key(ni,1,k)
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tmp(ni,2) = key(ni,2,k)
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key(ni,1,k) = key(ni,1,j)
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key(ni,2,k) = key(ni,2,j)
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key(ni,1,j) = tmp(ni,1)
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key(ni,2,j) = tmp(ni,2)
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enddo
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tmpidx = idx(k)
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idx(k) = idx(j)
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idx(j) = tmpidx
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k = j
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j = k+k
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else
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return
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endif
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enddo
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end subroutine
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subroutine sort_dets_ba_v(key_in, key_out, idx, shortcut, version, N_key, Nint)
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use bitmasks
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implicit none
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BEGIN_DOC
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! Deprecated routine
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END_DOC
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integer, intent(in) :: Nint, N_key
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integer(bit_kind),intent(in) :: key_in(Nint,2,N_key)
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integer(bit_kind),intent(out) :: key_out(Nint,N_key)
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integer,intent(out) :: idx(N_key)
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integer,intent(out) :: shortcut(0:N_key+1)
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integer(bit_kind),intent(out) :: version(Nint,N_key+1)
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integer(bit_kind), allocatable :: key(:,:,:)
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integer :: i,ni
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allocate ( key(Nint,2,N_key) )
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do i=1,N_key
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do ni=1,Nint
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key(ni,1,i) = key_in(ni,2,i)
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key(ni,2,i) = key_in(ni,1,i)
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enddo
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enddo
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call sort_dets_ab_v(key, key_out, idx, shortcut, version, N_key, Nint)
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deallocate ( key )
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end subroutine
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subroutine sort_dets_ab_v(key_in, key_out, idx, shortcut, version, N_key, Nint)
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use bitmasks
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implicit none
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BEGIN_DOC
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! Deprecated routine
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END_DOC
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integer, intent(in) :: Nint, N_key
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integer(bit_kind),intent(in) :: key_in(Nint,2,N_key)
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integer(bit_kind),intent(out) :: key_out(Nint,N_key)
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integer,intent(out) :: idx(N_key)
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integer,intent(out) :: shortcut(0:N_key+1)
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integer(bit_kind),intent(out) :: version(Nint,N_key+1)
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integer(bit_kind), allocatable :: key(:,:,:)
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integer(bit_kind) :: tmp(Nint, 2)
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integer :: tmpidx,i,ni
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allocate (key(Nint,2,N_key))
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do i=1,N_key
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do ni=1,Nint
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key(ni,1,i) = key_in(ni,1,i)
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key(ni,2,i) = key_in(ni,2,i)
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enddo
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idx(i) = i
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end do
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do i=N_key/2,1,-1
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call tamiser(key, idx, i, N_key, Nint, N_key)
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end do
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do i=N_key,2,-1
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do ni=1,Nint
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tmp(ni,1) = key(ni,1,i)
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tmp(ni,2) = key(ni,2,i)
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key(ni,1,i) = key(ni,1,1)
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key(ni,2,i) = key(ni,2,1)
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key(ni,1,1) = tmp(ni,1)
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key(ni,2,1) = tmp(ni,2)
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enddo
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tmpidx = idx(i)
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idx(i) = idx(1)
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idx(1) = tmpidx
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call tamiser(key, idx, 1, i-1, Nint, N_key)
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end do
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shortcut(0) = 1
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shortcut(1) = 1
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do ni=1,Nint
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version(ni,1) = key(ni,1,1)
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enddo
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do i=2,N_key
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do ni=1,nint
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if(key(ni,1,i) /= key(ni,1,i-1)) then
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shortcut(0) = shortcut(0) + 1
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shortcut(shortcut(0)) = i
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version(:,shortcut(0)) = key(:,1,i)
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exit
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end if
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end do
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end do
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shortcut(shortcut(0)+1) = N_key+1
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do i=1,N_key
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do ni=1,Nint
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key_out(ni,i) = key(ni,2,i)
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enddo
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enddo
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deallocate (key)
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end subroutine
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subroutine sort_dets_ab(key, idx, shortcut, N_key, Nint)
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use bitmasks
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implicit none
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BEGIN_DOC
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! Deprecated routine
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END_DOC
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integer, intent(in) :: Nint, N_key
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integer(bit_kind),intent(inout) :: key(Nint,2,N_key)
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integer,intent(inout) :: idx(N_key)
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integer,intent(inout) :: shortcut(0:N_key+1)
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integer(bit_kind) :: tmp(Nint, 2)
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integer :: tmpidx,i,ni
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do i=1,N_key
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idx(i) = i
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end do
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do i=N_key/2,1,-1
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call tamiser(key, idx, i, N_key, Nint, N_key)
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end do
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do i=N_key,2,-1
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do ni=1,Nint
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tmp(ni,1) = key(ni,1,i)
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tmp(ni,2) = key(ni,2,i)
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key(ni,1,i) = key(ni,1,1)
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key(ni,2,i) = key(ni,2,1)
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key(ni,1,1) = tmp(ni,1)
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key(ni,2,1) = tmp(ni,2)
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enddo
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tmpidx = idx(i)
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idx(i) = idx(1)
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idx(1) = tmpidx
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call tamiser(key, idx, 1, i-1, Nint, N_key)
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end do
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shortcut(0) = 1
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shortcut(1) = 1
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do i=2,N_key
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do ni=1,nint
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if(key(ni,1,i) /= key(ni,1,i-1)) then
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shortcut(0) = shortcut(0) + 1
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shortcut(shortcut(0)) = i
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exit
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end if
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end do
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end do
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shortcut(shortcut(0)+1) = N_key+1
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end subroutine
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