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quantum_package/src/Determinants/excitations_utils.irp.f
2015-04-20 18:42:52 +02:00

17 lines
517 B
Fortran

subroutine apply_mono(i_hole,i_particle,ispin_excit,key_in,Nint)
implicit none
integer, intent(in) :: i_hole,i_particle,ispin_excit,Nint
integer(bit_kind), intent(inout) :: key_in(Nint,2)
integer :: k,j
use bitmasks
! hole
k = ishft(i_hole-1,-bit_kind_shift)+1
j = i_hole-ishft(k-1,bit_kind_shift)-1
key_in(k,ispin_excit) = ibclr(key_in(k,ispin_excit),j)
k = ishft(i_particle-1,-bit_kind_shift)+1
j = i_particle-ishft(k-1,bit_kind_shift)-1
key_in(k,ispin_excit) = ibset(key_in(k,ispin_excit),j)
end