56 lines
1.4 KiB
Fortran
56 lines
1.4 KiB
Fortran
logical function is_the_hole_in_det(key_in,ispin,i_hole)
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use bitmasks
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! returns true if the electron ispin is absent from i_hole
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implicit none
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integer, intent(in) :: i_hole,ispin
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integer(bit_kind), intent(in) :: key_in(N_int,2)
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integer(bit_kind) :: key_tmp(N_int)
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integer(bit_kind) :: itest(N_int)
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integer :: i,j,k
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do i = 1, N_int
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itest(i) = 0_bit_kind
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enddo
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k = shiftr(i_hole-1,bit_kind_shift)+1
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j = i_hole-shiftl(k-1,bit_kind_shift)-1
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itest(k) = ibset(itest(k),j)
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j = 0
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do i = 1, N_int
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key_tmp(i) = iand(itest(i),key_in(i,ispin))
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j += popcnt(key_tmp(i))
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enddo
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if(j==0)then
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is_the_hole_in_det = .True.
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else
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is_the_hole_in_det = .False.
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endif
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end
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logical function is_the_particl_in_det(key_in,ispin,i_particl)
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use bitmasks
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! returns true if the electron ispin is absent from i_particl
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implicit none
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integer, intent(in) :: i_particl,ispin
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integer(bit_kind), intent(in) :: key_in(N_int,2)
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integer(bit_kind) :: key_tmp(N_int)
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integer(bit_kind) :: itest(N_int)
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integer :: i,j,k
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do i = 1, N_int
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itest(i) = 0_bit_kind
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enddo
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k = shiftr(i_particl-1,bit_kind_shift)+1
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j = i_particl-shiftl(k-1,bit_kind_shift)-1
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itest(k) = ibset(itest(k),j)
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j = 0
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do i = 1, N_int
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key_tmp(i) = iand(itest(i),key_in(i,ispin))
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j += popcnt(key_tmp(i))
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enddo
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if(j==0)then
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is_the_particl_in_det = .False.
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else
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is_the_particl_in_det = .True.
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endif
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end
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