mirror of
https://github.com/QuantumPackage/qp2.git
synced 2024-11-08 14:33:38 +01:00
56 lines
1.4 KiB
Fortran
56 lines
1.4 KiB
Fortran
|
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
|