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c $Id: int_l1eall.F 19696 2010-10-29 16:53:42Z d3y133 $
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c $Id: int_l1eall.F 23339 2013-01-03 17:50:16Z d3y133 $
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C> \brief Compute any 1-electron integrals removing any zero integrals
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C> This routine computes the 1 electron integrals \f$S\f$, \f$T\f$, and \f$V\f$:
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C> S & = & ({\mu}|{\nu}) \\\\
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C> & = & \int_{-\infty}^{\infty} g_{\mu}(X_{\mu},r_{1})g_{\nu}(X_{\nu},r_{1})dr_{1} \\\\
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C> T & = & ({\mu}|-\frac{1}{2}\nabla^{2}|{\nu}) \\\\
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C> & = & -\frac{1}{2}\int_{-\infty}^{\infty}g_{\mu}(X_{\mu},r_{1})\nabla^{2}(r_{1})\\
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C> g_{\nu}(X_{\nu},r_{1})dr_{1} \\\\
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C> V & = & ({\mu}|\sum_{\alpha}\frac{-Z_{\alpha}}{|r_{1}-R_{\alpha}|}|{\nu}) \\\\
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C> & = & \int_{-\infty}^{\infty} g_{\mu}(X_{\mu},r_{1})\sum_{\alpha}\frac
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C> {-Z_{\alpha}}{|r_{1}-R_{\alpha}|}g_{\nu}(X_{\nu},r_{1})dr_{1}
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C> All zero valued integrals are removed and the remaining integrals
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C> identified with appropriate labels.
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C> If an ECP is defined then the ECP integral contributions are summed
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C> directly into the V integrals.
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c:tex-% this is part of the API Standard Integral routines.
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c:tex-\subsection{int\_l1eall}
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c:tex-This routine computes the 1 electron integrals S, T, and V
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external int_nint_cart
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c:tex-\begin{verbatim}
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integer i_basis ! [input] basis set handle for ish
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integer ish ! [input] i shell/contraction
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integer j_basis ! [input] basis set handle for jsh
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integer jsh ! [input] j shell/contraction
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integer lscr ! [input] length of scratch array
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double precision zerotol ! [input] zero threshold for integrals
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double precision scr(lscr) ! [scratch] scratch array
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integer lstv ! [input] length of one electron buffers
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integer ilab(lstv) ! [output] i bas. fun. index array
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integer jlab(lstv) ! [output] j bas. fun. index array
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double precision T(lstv) ! [output] kinetic integral buffer
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double precision V(lstv) ! [output] potential integral buffer
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double precision S(lstv) ! [output] overlap integral buffer
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integer numstv ! [output] number of returned integrals
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integer i_basis !< [Input] basis set handle for ish
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integer ish !< [Input] i shell/contraction
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integer j_basis !< [Input] basis set handle for jsh
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integer jsh !< [Input] j shell/contraction
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integer lscr !< [Input] length of scratch array
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double precision zerotol !< [Input] zero threshold for integrals
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double precision scr(lscr) !< [Scratch] scratch array
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integer lstv !< [Input] length of one electron buffers
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integer ilab(lstv) !< [Output] i bas. fun. index array
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integer jlab(lstv) !< [Output] j bas. fun. index array
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double precision T(lstv) !< [Output] kinetic integral buffer
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double precision V(lstv) !< [Output] potential integral buffer
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double precision S(lstv) !< [Output] overlap integral buffer
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integer numstv !< [Output] number of returned integrals
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c:tex-\end{verbatim}
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integer ibas, jbas, iscrS, iscrT, iscrV, icount, i, j