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40 lines
1.4 KiB
Fortran
Executable File
40 lines
1.4 KiB
Fortran
Executable File
subroutine dfintder1c(
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#include "dfint1der_beg.f"
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#include "dfint1der_mid1.f"
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#include "dfint1der_mid2.f"
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call primintder(dcore(ij),xpq,ypq,zpq,norm,arg,boysval,
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$nmboys,cf,xpa,ypa,zpa,w,rp,-alp,alq,0.5d0*psq,
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$-0.5d0*rc(kprim)*alq,xab,yab,zab,ra,rb(jprim),a,b,c)
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#include "dfint1der_end1.f"
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#include "dfint1der_end2.f"
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subroutine dfintder1c_kc(
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#include "dfint1der_kc_beg.f"
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#include "dfint1der_mid1.f"
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#include "dfint1der_mid2_kc.f"
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call primintder(dcore(ij),xpq,ypq,zpq,norm,arg,boysval,
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$nmboys,cf,xpa,ypa,zpa,w,rp,-alp,alq,0.5d0*psq,
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$-0.5d0*rc(kprim)*alq,xab,yab,zab,ra,rb(jprim),a,b,c)
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#include "dfint1der_end1_kc.f"
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#include "dfint1der_end2.f"
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subroutine dfintder1c_ab(
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#include "dfint1der_beg.f"
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#include "dfint1der_mid1_ab.f"
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#include "dfint1der_mid2.f"
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call primintder(dcore(ij),xpq,ypq,zpq,norm,arg,boysval,
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$nmboys,cf,xpb,ypb,zpb,w,rp,-alp,alq,0.5d0*psq,
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$-0.5d0*rc(kprim)*alq,xab,yab,zab,rb(jprim),ra,b,a,c)
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#include "dfint1der_end1.f"
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#include "dfint1der_end2.f"
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subroutine dfintder1c_ab_kc(
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#include "dfint1der_kc_beg.f"
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#include "dfint1der_mid1_ab.f"
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#include "dfint1der_mid2_kc.f"
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call primintder(dcore(ij),xpq,ypq,zpq,norm,arg,boysval,
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$nmboys,cf,xpb,ypb,zpb,w,rp,-alp,alq,0.5d0*psq,
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$-0.5d0*rc(kprim)*alq,xab,yab,zab,rb(jprim),ra,b,a,c)
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#include "dfint1der_end1_kc.f"
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#include "dfint1der_end2.f"
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