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qp2/src/bitmask/find_hole.irp.f

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2019-01-25 11:39:31 +01:00
logical function is_the_hole_in_det(key_in,ispin,i_hole)
use bitmasks
! returns true if the electron ispin is absent from i_hole
implicit none
integer, intent(in) :: i_hole,ispin
integer(bit_kind), intent(in) :: key_in(N_int,2)
integer(bit_kind) :: key_tmp(N_int)
integer(bit_kind) :: itest(N_int)
integer :: i,j,k
do i = 1, N_int
itest(i) = 0_bit_kind
enddo
k = shiftr(i_hole-1,bit_kind_shift)+1
j = i_hole-shiftl(k-1,bit_kind_shift)-1
itest(k) = ibset(itest(k),j)
j = 0
do i = 1, N_int
key_tmp(i) = iand(itest(i),key_in(i,ispin))
j += popcnt(key_tmp(i))
enddo
if(j==0)then
is_the_hole_in_det = .True.
else
is_the_hole_in_det = .False.
endif
end
logical function is_the_particl_in_det(key_in,ispin,i_particl)
use bitmasks
! returns true if the electron ispin is absent from i_particl
implicit none
integer, intent(in) :: i_particl,ispin
integer(bit_kind), intent(in) :: key_in(N_int,2)
integer(bit_kind) :: key_tmp(N_int)
integer(bit_kind) :: itest(N_int)
integer :: i,j,k
do i = 1, N_int
itest(i) = 0_bit_kind
enddo
k = shiftr(i_particl-1,bit_kind_shift)+1
j = i_particl-shiftl(k-1,bit_kind_shift)-1
itest(k) = ibset(itest(k),j)
j = 0
do i = 1, N_int
key_tmp(i) = iand(itest(i),key_in(i,ispin))
j += popcnt(key_tmp(i))
enddo
if(j==0)then
is_the_particl_in_det = .False.
else
is_the_particl_in_det = .True.
endif
end