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41 lines
1.8 KiB
FortranFixed
Executable File
41 lines
1.8 KiB
FortranFixed
Executable File
call dprimcalc(
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$ niprim,njprim,nkprim,1,
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$ nispher,njspher,nkspher,1,
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$ nicart,njcart,nkcart,1,
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$ iatoms,jatoms,katoms,0,
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$ iang,jang,kang,0,
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$ it1,it2,it3,it4,
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$ ax,ay,az,bx,by,bz,cx,cy,cz,cx,cy,cz,
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$ scoord(1,iatoms,jatoms,1),
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$ scoord(2,iatoms,jatoms,1),
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$ scoord(3,iatoms,jatoms,1),
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$ 0.d0,0.d0,0.d0,
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$ njcontr,nkcontr,1,
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$ it10,it12,it13,it14,it15,it16,
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$ nmax,nmax1,kang,
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$ ncdbra,ncdket,ddatoms,dero,
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$ nprimmax,ncartmax,ncontrmax,nangmax,natoms,
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$ ddi_,ddj,ddk,ddl,dnmax,
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$ nzipr,nzjpr,nzkpr,nzlpr,
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$ hrec(1,1,iang,iatoms),
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$ hrec(1,1,jang,jatoms),
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$ 0.d0,
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$ 0.d0,
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$ gcoefj,
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$ dfgcoef,
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$ 1.d0,
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$ gcnj,
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$ dfgcn,
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$ dugcn,
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$ rqqij,
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$ dfrqq(1,1,kang,katoms),
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$ gexpi,
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$ gexpj,
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$ dfgexp,
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$ 0.d0,
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$ ctostr,boysval,dcore,gc,cf,
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$ sb2,0.d0,norm1,(nmax1+1)**3*(kang+1)**3,
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$ nmboys,ijkls,nzip,nzl,ncd,
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$ abcdl,
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$ intalg,spctostr,dpremat,ptol)
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