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https://github.com/LCPQ/quantum_package
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37 lines
1.0 KiB
Fortran
37 lines
1.0 KiB
Fortran
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subroutine give_active_part_determinant(det_in,det_out)
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implicit none
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use bitmasks
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integer(bit_kind),intent(in) :: det_in(N_int,2)
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integer(bit_kind),intent(out) :: det_out(N_int,2)
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integer :: i
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do i = 1,N_int
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det_out(i,1) = iand(det_in(i,1),cas_bitmask(i,1,1))
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det_out(i,2) = iand(det_in(i,2),cas_bitmask(i,1,1))
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enddo
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end
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subroutine give_core_inactive_part_determinant(det_in,det_out)
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implicit none
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use bitmasks
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integer(bit_kind),intent(in) :: det_in(N_int,2)
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integer(bit_kind),intent(out) :: det_out(N_int,2)
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integer :: i
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do i = 1,N_int
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det_out(i,1) = iand(det_in(i,1),reunion_of_core_inact_bitmask(i,1))
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det_out(i,2) = iand(det_in(i,2),reunion_of_core_inact_bitmask(i,1))
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enddo
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end
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subroutine give_virt_part_determinant(det_in,det_out)
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implicit none
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use bitmasks
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integer(bit_kind),intent(in) :: det_in(N_int,2)
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integer(bit_kind),intent(out) :: det_out(N_int,2)
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integer :: i
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do i = 1,N_int
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det_out(i,1) = iand(det_in(i,1),virt_bitmask(i,1))
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det_out(i,2) = iand(det_in(i,2),virt_bitmask(i,1))
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enddo
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end
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