mirror of https://github.com/LCPQ/DEHam
59 lines
1.3 KiB
Fortran
59 lines
1.3 KiB
Fortran
subroutine adrfull()
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implicit none
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use iso_c_binding
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BEGIN_DOC
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! this subroutine provides the address of a detrminant
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! given in old format.
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! It searches in a list of generated determinants and
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! matches the given determinant.
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END_DOC
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integer,dimension(natomax)::ideter
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integer(C_SIZE_T)::add
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integer(C_SIZE_T)::deti,dethi,addh,detnew
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integer::count,i,j
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deti=0
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detnew=0
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dethi=0
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do j=1,detfound
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detnew=0
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count=0
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ideter=foundet(:,j)
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call conv(ideter,deti,dethi)
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Do i=0,natom-1
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if(BTEST(dethi,i))then
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count=count+1
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endif
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if(BTEST(deti,i))then
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detnew=IBSET(detnew,i-count)
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endif
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enddo
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deti=detnew
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foundadd(j,1)=deti
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foundadd(j,3)=j
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foundaddh(j,1)=dethi
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foundaddh(j,3)=j
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call searchdet(deti,add,dethi,addh)
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! enddo
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! call sort()
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! call searchdetfull()
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! call desort()
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! do i=1,detfound
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! add = foundadd(i,2)
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! addh = foundaddh(i,2)
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foundadd(j,2) = add
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foundaddh(j,2)= addh
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add = add + (nt1-addh)*(nt2)
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foundetadr(j)=add
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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,I14)
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16 FORMAT(B64,I14,I14)
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end
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