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44 lines
1.7 KiB
Fortran
Executable File
44 lines
1.7 KiB
Fortran
Executable File
$gcnk,
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$nicontr,njcontr,nkcontr,niprim,njprim,nkprim,
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$imem,imem1,maxcor,dcore,iout,nprimmax,
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$ncontrmax,gexpk,boysval,
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$ax,ay,az,sb2,cx,cy,cz,itol,cf,nmboys,bx,by,bz,
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$dfscr,
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$gexpi,gexpj,gcni,gcnj,
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$nc12,nc12s,ijks,scrmem,jgi,
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$gci,gcj,ip,jp,gck,kp)
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! Calculate general three-center Coulomb integrals for DF
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implicit none
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integer imem,imem1,maxcor,nc12,nc12s,ijks
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integer iout
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integer nicontr,njcontr,nkcontr,niprim,njprim,nkprim,ncontrmax
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integer nprimmax,nmboys
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integer nzipr(0:nprimmax),nzjpr(0:nprimmax)
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integer gcni(2,ncontrmax),gcnj(2,ncontrmax),gcnk(2,ncontrmax)
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real*8 gexpi(nprimmax),gexpj(nprimmax),itol,cf(0:nmboys)
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real*8 gexpk(nprimmax),ax,ay,az,sb2,cx,cy,cz,cf0
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real*8 bx,by,bz
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real*8 boysval((1+nmboys)*1481),dfscr(*),dcore(*)
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logical jgi
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! Internal variables
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integer scrmem,var_c
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integer ccontr,nckl,nclkj
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integer it2,it3,it4,nc12p
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integer ilo,iup,nzip,ipr,iprim,aa,bb
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integer niprim2,njprim2
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integer nclkj1,gc1,gc2,ncklp
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integer jlength,jplace,jplace1,iplace,iplace1,nc121,nckl1
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integer scr,kbuff,kbuff1,jbuff,jbuff1,ibuff,ibuff1
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! Primitive loops
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integer nzjp,jprim,ncklj,kprim,ij
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real*8 ptol,a,b,p,rp,ap,bp,px,py,pz,xpa,ypa,zpa,xpq,ypq,zpq,norm2
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real*8 argij,c,psq,alp,alq,norm,arg
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real*8 minc2,ptol2,cf02,ptol2i,ptol2j
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real*8 minc
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real*8 dic2(max(ijks,nc12s)),kcc
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real*8 gck(nprimmax,ncontrmax)
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real*8 gcj(nprimmax,ncontrmax)
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real*8 gci(nprimmax,ncontrmax)
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integer ip(niprim),jp(njprim),ff,kp(nkprim)
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real*8 jcc,icc,pttt,rc(nkprim)
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