mirror of
https://github.com/LCPQ/quantum_package
synced 2024-11-18 20:13:07 +01:00
37 lines
1.0 KiB
Fortran
37 lines
1.0 KiB
Fortran
|
|
||
|
|
subroutine give_active_part_determinant(det_in,det_out)
|
||
|
|
implicit none
|
||
|
|
use bitmasks
|
||
|
|
integer(bit_kind),intent(in) :: det_in(N_int,2)
|
||
|
|
integer(bit_kind),intent(out) :: det_out(N_int,2)
|
||
|
|
integer :: i
|
||
|
|
do i = 1,N_int
|
||
|
|
det_out(i,1) = iand(det_in(i,1),cas_bitmask(i,1,1))
|
||
|
|
det_out(i,2) = iand(det_in(i,2),cas_bitmask(i,1,1))
|
||
|
|
enddo
|
||
|
|
end
|
||
|
|
|
||
|
|
subroutine give_core_inactive_part_determinant(det_in,det_out)
|
||
|
|
implicit none
|
||
|
|
use bitmasks
|
||
|
|
integer(bit_kind),intent(in) :: det_in(N_int,2)
|
||
|
|
integer(bit_kind),intent(out) :: det_out(N_int,2)
|
||
|
|
integer :: i
|
||
|
|
do i = 1,N_int
|
||
|
|
det_out(i,1) = iand(det_in(i,1),reunion_of_core_inact_bitmask(i,1))
|
||
|
|
det_out(i,2) = iand(det_in(i,2),reunion_of_core_inact_bitmask(i,1))
|
||
|
|
enddo
|
||
|
|
end
|
||
|
|
|
||
|
|
subroutine give_virt_part_determinant(det_in,det_out)
|
||
|
|
implicit none
|
||
|
|
use bitmasks
|
||
|
|
integer(bit_kind),intent(in) :: det_in(N_int,2)
|
||
|
|
integer(bit_kind),intent(out) :: det_out(N_int,2)
|
||
|
|
integer :: i
|
||
|
|
do i = 1,N_int
|
||
|
|
det_out(i,1) = iand(det_in(i,1),virt_bitmask(i,1))
|
||
|
|
det_out(i,2) = iand(det_in(i,2),virt_bitmask(i,1))
|
||
|
|
enddo
|
||
|
|
end
|