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49 lines
1.9 KiB
Fortran
Executable File
49 lines
1.9 KiB
Fortran
Executable File
$nc12,
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$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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$gexpi,gexpj,gcni,gcnj,
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$gcoefi,gcoefj,gcoefk,scrmem,jgi,gci,gcj,ip,jp,dpremat)
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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
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integer iout,iat,jat,kat,nsh(2)
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integer nicontr,njcontr,nkcontr,niprim,njprim,nkprim,ncontrmax
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integer nprimmax,nmboys
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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 gcoefi(nprimmax,ncontrmax),gcoefj(nprimmax,ncontrmax)
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real*8 gcoefk(nprimmax,ncontrmax),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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integer gcni(2,ncontrmax),gcnj(2,ncontrmax)
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! Internal variables
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integer nzjpr(0:njprim),nckl,nckl1
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integer iplace,iplace1,jlength,gc1,gc2
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integer nzjp,jpr,it3,iseg(niprim),isegc(niprim)
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integer nzip,nzipr(0:niprim)
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integer it4,nclkj,nclkj1,ipr
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integer scrmem,var_c
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integer ccontr
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integer ilo,iup,iprim,aa
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integer ii,ic,jc,kbuff,kbuff1,jbuff,jbuff1,ibuff,ibuff1
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integer nc121,ni1,nj1
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integer scr,ncklp
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! Primitive loops
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integer jprim,ncklj,kprim,ij,var_cc,jseg(njprim),jsegc(njprim)
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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 xab,yab,zab,a2,b2(njprim)
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real*8 argij,c,psq,alp,alq,norm,arg
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real*8 minc2,ptol2,norms,cf02,ptol2i,ptol2j
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real*8 minc,gckdiag(nprimmax)
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real*8 ssa,ssb,ssc,ptoli,ptolj
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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),niprim2,njprim2
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real*8 jcc,icc,exparg,rc(nkprim)
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real*8 dpremat(nprimmax,nprimmax)
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integer aaa,zyx,abc
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