mirror of https://github.com/LCPQ/DEHam
142 lines
4.0 KiB
Fortran
142 lines
4.0 KiB
Fortran
subroutine searchdetfull()
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use iso_c_binding
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BEGIN_DOC
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! this subroutine is at the heart of the idea
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! it will generate all the determinants in a fixed order
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! then find the posistion of the determinant given and
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! return it's position in add.
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END_DOC
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! integer(C_SIZE_T),INTENT(INOUT)::foundetadr(maxlien,4)
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integer(C_SIZE_T)::add
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! integer(C_SIZE_T),INTENT(INOUT)::deth
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integer(C_SIZE_T)::dethsh
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integer(C_SIZE_T)::addh
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integer(C_SIZE_T)::a
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integer(C_SIZE_T)::i
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integer::const,count
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i=1
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a=0
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add=0
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const=0
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count=1
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If(ntrou.ge.1)then
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const=0
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a=0
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addh=0
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i=1
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dethsh = ISHFT(foundaddh(count,1),-natom/2)
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do while (i.le.(2*nt1))
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if(a.eq.dethsh)then
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addh=i-1
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foundaddh(count,2)=addh
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count+=1
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dethsh = ISHFT(foundaddh(count,1),-natom/2)
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do while(count .le. detfound .and. a .eq. dethsh)
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foundaddh(count,2)=addh
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count+=1
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dethsh = ISHFT(foundaddh(count,1),-natom/2)
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enddo
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if(count.gt.detfound)then
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EXIT
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endif
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endif
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i+=1
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! const=1
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a+=1
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! do while(popcnt(a).ne.ntrou .or. const==1)
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do while(popcnt(a).ne.ntrou)
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a+=1
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! const=0
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enddo
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enddo
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if(a.eq.foundaddh(count,1))then
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addh=i-1
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foundaddh(count,2)=addh
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count+=1
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dethsh = ISHFT(foundaddh(count,1),-natom/2)
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do while(count .le. detfound .and. a .eq. foundaddh(count,1))
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foundaddh(count,2)=addh
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count+=1
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dethsh = ISHFT(foundaddh(count,1),-natom/2)
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enddo
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endif
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endif
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!C if det=0 then exit
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a=0
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i=1
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count=1
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const=0
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if(a.eq.foundadd(count,1))then
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add=1
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foundadd(count,2)=add
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count+=1
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do while(foundadd(count,1).eq.a .and. count.le.detfound)
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foundadd(count,2)=add
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count+=1
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enddo
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endif
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do while (i.le.(nt2) .and. count .le.detfound)
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if(a.eq.foundadd(count,1))then
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if(a.eq.1)then
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add=i-1
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foundadd(count,2)=add
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count+=1
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do while(foundadd(count,1).eq.a .and. count.le.detfound)
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foundadd(count,2)=add
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count+=1
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enddo
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if(count.eq.detfound)then
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const=-1
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EXIT
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endif
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else
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add=i-1
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foundadd(count,2)=add
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count+=1
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do while(foundadd(count,1).eq.a .and. count.le.detfound)
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foundadd(count,2)=add
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count+=1
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enddo
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if(count.gt.detfound)then
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const=-1
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EXIT
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endif
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endif
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endif
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i+=1
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a+=1
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!C write(6,16)a,a,i-2
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do while(popcnt(a).ne.nbeta)
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a+=1
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enddo
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enddo
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! if(a.eq.foundadd(count,1) .and. foundadd(count,1).eq.0)then
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if(a.eq.foundadd(count,1) .and. foundadd(count,2) .eq. 0)then
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foundadd(count,2) = nt2
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count+=1
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do while(foundadd(count,1).eq.a .and. count.le.detfound)
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foundadd(count,2)=nt2
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count+=1
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enddo
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endif
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! do i=1,detfound
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! write(6,16)foundadd(i,1) ,foundadd(i,2),foundadd(i,3)
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! write(6,16)foundaddh(i,1),foundaddh(i,2),foundaddh(i,3)
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! enddo
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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
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