mirror of
https://github.com/LCPQ/DEHam
synced 2024-10-10 01:53:11 +02:00
141 lines
4.1 KiB
FortranFixed
141 lines
4.1 KiB
FortranFixed
|
subroutine searchdetfull()
|
||
|
BEGIN_DOC
|
||
|
! this subroutine is at the heart of the idea
|
||
|
! it will generate all the determinants in a fixed order
|
||
|
! then find the posistion of the determinant given and
|
||
|
! return it's position in add.
|
||
|
END_DOC
|
||
|
! integer(kind=selected_int_kind(16)),INTENT(INOUT)::foundetadr(maxlien,4)
|
||
|
integer(kind=selected_int_kind(16))::add
|
||
|
! integer(kind=selected_int_kind(16)),INTENT(INOUT)::deth
|
||
|
integer(kind=selected_int_kind(16))::dethsh
|
||
|
integer(kind=selected_int_kind(16))::addh
|
||
|
integer(kind=selected_int_kind(16))::a
|
||
|
integer(kind=selected_int_kind(16))::i
|
||
|
integer::const,count
|
||
|
i=1
|
||
|
a=0
|
||
|
add=0
|
||
|
const=0
|
||
|
count=1
|
||
|
If(ntrou.ge.1)then
|
||
|
|
||
|
const=0
|
||
|
a=0
|
||
|
addh=0
|
||
|
i=1
|
||
|
dethsh = ISHFT(foundaddh(count,1),-natom/2)
|
||
|
do while (i.le.(2*nt1))
|
||
|
if(a.eq.dethsh)then
|
||
|
addh=i-1
|
||
|
foundaddh(count,2)=addh
|
||
|
count+=1
|
||
|
dethsh = ISHFT(foundaddh(count,1),-natom/2)
|
||
|
do while(count .le. detfound .and. a .eq. dethsh)
|
||
|
foundaddh(count,2)=addh
|
||
|
count+=1
|
||
|
dethsh = ISHFT(foundaddh(count,1),-natom/2)
|
||
|
enddo
|
||
|
if(count.gt.detfound)then
|
||
|
EXIT
|
||
|
endif
|
||
|
endif
|
||
|
|
||
|
i+=1
|
||
|
! const=1
|
||
|
a+=1
|
||
|
! do while(popcnt(a).ne.ntrou .or. const==1)
|
||
|
do while(popcnt(a).ne.ntrou)
|
||
|
a+=1
|
||
|
! const=0
|
||
|
enddo
|
||
|
enddo
|
||
|
|
||
|
if(a.eq.foundaddh(count,1))then
|
||
|
addh=i-1
|
||
|
foundaddh(count,2)=addh
|
||
|
count+=1
|
||
|
dethsh = ISHFT(foundaddh(count,1),-natom/2)
|
||
|
do while(count .le. detfound .and. a .eq. foundaddh(count,1))
|
||
|
foundaddh(count,2)=addh
|
||
|
count+=1
|
||
|
dethsh = ISHFT(foundaddh(count,1),-natom/2)
|
||
|
enddo
|
||
|
endif
|
||
|
|
||
|
endif
|
||
|
|
||
|
!C if det=0 then exit
|
||
|
a=0
|
||
|
i=1
|
||
|
count=1
|
||
|
const=0
|
||
|
if(a.eq.foundadd(count,1))then
|
||
|
add=1
|
||
|
foundadd(count,2)=add
|
||
|
count+=1
|
||
|
do while(foundadd(count,1).eq.a .and. count.le.detfound)
|
||
|
foundadd(count,2)=add
|
||
|
count+=1
|
||
|
enddo
|
||
|
endif
|
||
|
|
||
|
do while (i.le.(nt2) .and. count .le.detfound)
|
||
|
if(a.eq.foundadd(count,1))then
|
||
|
if(a.eq.1)then
|
||
|
add=i-1
|
||
|
foundadd(count,2)=add
|
||
|
count+=1
|
||
|
do while(foundadd(count,1).eq.a .and. count.le.detfound)
|
||
|
foundadd(count,2)=add
|
||
|
count+=1
|
||
|
enddo
|
||
|
if(count.eq.detfound)then
|
||
|
const=-1
|
||
|
EXIT
|
||
|
endif
|
||
|
else
|
||
|
add=i-1
|
||
|
foundadd(count,2)=add
|
||
|
count+=1
|
||
|
do while(foundadd(count,1).eq.a .and. count.le.detfound)
|
||
|
foundadd(count,2)=add
|
||
|
count+=1
|
||
|
enddo
|
||
|
if(count.gt.detfound)then
|
||
|
const=-1
|
||
|
EXIT
|
||
|
endif
|
||
|
endif
|
||
|
endif
|
||
|
|
||
|
i+=1
|
||
|
a+=1
|
||
|
!C write(6,16)a,a,i-2
|
||
|
do while(popcnt(a).ne.nbeta)
|
||
|
a+=1
|
||
|
enddo
|
||
|
enddo
|
||
|
! if(a.eq.foundadd(count,1) .and. foundadd(count,1).eq.0)then
|
||
|
if(a.eq.foundadd(count,1) .and. foundadd(count,2) .eq. 0)then
|
||
|
foundadd(count,2) = nt2
|
||
|
count+=1
|
||
|
do while(foundadd(count,1).eq.a .and. count.le.detfound)
|
||
|
foundadd(count,2)=nt2
|
||
|
count+=1
|
||
|
enddo
|
||
|
endif
|
||
|
! do i=1,detfound
|
||
|
! write(6,16)foundadd(i,1) ,foundadd(i,2),foundadd(i,3)
|
||
|
! write(6,16)foundaddh(i,1),foundaddh(i,2),foundaddh(i,3)
|
||
|
! enddo
|
||
|
|
||
|
10 FORMAT(B64,I8,F8.2)
|
||
|
15 FORMAT(B64,I8,I8,I8)
|
||
|
11 FORMAT(B64,I3,B64)
|
||
|
12 FORMAT(I5,$)
|
||
|
13 FORMAT(B64,B64)
|
||
|
14 FORMAT(B64,I8)
|
||
|
16 FORMAT(B64,I8,I8)
|
||
|
end
|