mirror of https://github.com/LCPQ/DEHam
55 lines
1.2 KiB
Plaintext
55 lines
1.2 KiB
Plaintext
subroutine adrfull()
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implicit none
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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(kind=selected_int_kind(16))::add
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integer(kind=selected_int_kind(16))::det,deth,addh,detnew
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integer::count,i,j
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det=0
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detnew=0
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deth=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,det,deth)
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Do i=0,natom-1
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if(BTEST(deth,i))then
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count=count+1
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endif
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if(BTEST(det,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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det=detnew
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foundadd(j,1)=det
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foundadd(j,3)=j
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foundaddh(j,1)=deth
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foundaddh(j,3)=j
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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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add = add + (nt1-addh)*(nt2)
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foundetadr(i)=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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