mirror of https://github.com/LCPQ/DEHam
70 lines
1.5 KiB
Fortran
70 lines
1.5 KiB
Fortran
subroutine getdet(add,ideter)
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implicit none
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BEGIN_DOC
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! this routing gives the determinant in
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! the traditional form given its address
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END_DOC
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integer,INTENT(INOUT)::ideter(natomax)
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integer(kind=selected_int_kind(16)),INTENT(IN)::add
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integer(kind=selected_int_kind(16))::deta,detb
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integer::i,const,ia,ib
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ib = MOD(add,nt2)
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if(MOD(add,nt2).eq.0)then
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ib=nt2
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endif
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ia = (add-ib)/nt2
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ia = nt1 - ia
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ideter=1
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const=0
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detb=0
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deta=0
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i=1
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do while (i.le.(ib))
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const=1
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do while(popcnt(detb).ne.nbeta .or. const==1)
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if(nbeta.eq.0)then
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detb=0
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EXIT
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endif
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detb+=1
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const=0
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enddo
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i+=1
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! write(6,14)detb,detb
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enddo
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i=1
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do while (i.le.(ia))
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const=1
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do while(popcnt(deta).ne.ntrou .or. const==1)
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deta+=1
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const=0
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enddo
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i+=1
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! write(6,14)deta,deta
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enddo
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const=0
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do i=0,(natom/2) - 1
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if(BTEST(deta,i))then
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ideter((natom/2)-i)=3
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endif
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enddo
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do i=0,natom-1
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if(ideter(natom-i).eq.1)then
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if(BTEST(detb,const))then
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ideter(natom-i)=2
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endif
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const=const+1
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endif
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enddo
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return
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10 FORMAT(B64,I8,F8.2)
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15 FORMAT(B64,I8,I8,I8)
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11 FORMAT(B64,I3,B64)
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12 FORMAT(I5,$)
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13 FORMAT(B64,B64)
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14 FORMAT(B64,I8)
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16 FORMAT(B64,I8,I8)
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end subroutine getdet
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