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Fix spin_det_search_key

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Anthony Scemama 2025-03-22 00:49:00 +01:00
parent 06c788cf9c
commit bdcf7ec432
1 changed files with 1 additions and 2 deletions
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3
src/determinants/spindeterminants.irp.f
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@ -16,11 +16,10 @@ integer*8 function spin_det_search_key(det,Nint)
integer(bit_kind), intent(in) :: det(Nint)
integer(bit_kind), parameter :: unsigned_shift = 1_bit_kind-huge(1_bit_kind) ! 100...00
integer :: i
spin_det_search_key = det(1)
spin_det_search_key = det(1)+unsigned_shift
do i=2,Nint
spin_det_search_key = ieor(spin_det_search_key,det(i))
enddo
spin_det_search_key = spin_det_search_key+unsigned_shift
end