LCPQ/qp2
9
1
Fork 0
mirror of https://github.com/QuantumPackage/qp2.git synced 2025-04-25 17:54:44 +02:00
Code Releases Activity

Fix spin_det_search_key

Browse Source
This commit is contained in:
Anthony Scemama 2025-03-22 00:49:00 +01:00
parent 06c788cf9c
commit bdcf7ec432
1 changed files with 1 additions and 2 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

3
src/determinants/spindeterminants.irp.f
View File

@ -16,11 +16,10 @@ integer*8 function spin_det_search_key(det,Nint)
integer(bit_kind), intent(in) :: det(Nint) integer(bit_kind), intent(in) :: det(Nint)
integer(bit_kind), parameter :: unsigned_shift = 1_bit_kind-huge(1_bit_kind) ! 100...00 integer(bit_kind), parameter :: unsigned_shift = 1_bit_kind-huge(1_bit_kind) ! 100...00
integer :: i integer :: i
spin_det_search_key = det(1) spin_det_search_key = det(1)+unsigned_shift
do i=2,Nint do i=2,Nint
spin_det_search_key = ieor(spin_det_search_key,det(i)) spin_det_search_key = ieor(spin_det_search_key,det(i))
enddo enddo
spin_det_search_key = spin_det_search_key+unsigned_shift
end end