mirror of https://github.com/LCPQ/DEHam
83 lines
1.8 KiB
Fortran
83 lines
1.8 KiB
Fortran
use iso_c_binding
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BEGIN_PROVIDER[integer(C_SIZE_T),det,(nt2,2)]
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&BEGIN_PROVIDER[integer(C_SIZE_T),deth,(nt1,2)]
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BEGIN_DOC
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! provides det and deth array
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END_DOC
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use iso_c_binding
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implicit none
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! integer(kind=selected_int_kind(16))::dethsh
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integer(C_SIZE_t)::a
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integer(C_SIZE_T)::i,count,iik
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integer::const
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i=1
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a=0
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const=0
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count=0
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If(ntrou.ge.1)then
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const=0
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do while (i.le.(nt1))
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i+=1
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a+=1
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do while(popcnt(a).ne.ntrou)
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a+=1
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enddo
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count+=1
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if(FAM1) then
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if(fix_trou1 .eq. fix_trou2) then
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deth(count,1)=ISHFT(a,natom/2)
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else
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deth(count,1)=ISHFT(a,natom - (fix_trou2-fix_trou1))
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endif
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else
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deth(count, 1) = a
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endif
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deth(count,2)=i-1
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enddo
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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=0
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count=0
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if(mpiid==0)then
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print *,'nt2=',nt2,'nbeta=',nbeta
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endif
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do while (i.lt.(nt2))
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i+=1
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a+=1
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do while(popcnt(a).ne.nbeta)
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if(nbeta.eq.0)then
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a=0
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count+=1
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det(count,1)=a
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det(count,2)=i
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EXIT
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endif
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a+=1
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enddo
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if(nbeta.ne.0)then
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count+=1
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det(count,1)=a
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det(count,2)=i
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endif
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! write(6,16)a,a,i
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enddo
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! do i=0,nt2
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! print *,i," det=",det(i,1)," add=",det(i,2)
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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_PROVIDER
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