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<div class="navpath"><b>sc</b>::<a class="el" href="classsc_1_1OneBodyDerivIntV3.html">OneBodyDerivIntV3</a>
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<h1>sc::OneBodyDerivIntV3 Class Reference</h1><!-- doxytag: class="sc::OneBodyDerivIntV3" --><!-- doxytag: inherits="sc::OneBodyDerivInt" -->This implements one body derivative integrals in the IntV3 library.
<a href="#_details">More...</a>
<p>
<code>#include <<a class="el" href="obintv3_8h_source.html">obintv3.h</a>></code>
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Inheritance diagram for sc::OneBodyDerivIntV3:</div>
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<p><center><img src="classsc_1_1OneBodyDerivIntV3.png" usemap="#sc::OneBodyDerivIntV3_map" border="0" alt=""></center>
<map name="sc::OneBodyDerivIntV3_map">
<area href="classsc_1_1OneBodyDerivInt.html" alt="sc::OneBodyDerivInt" shape="rect" coords="0,112,144,136">
<area href="classsc_1_1RefCount.html" alt="sc::RefCount" shape="rect" coords="0,56,144,80">
<area href="classsc_1_1Identity.html" alt="sc::Identity" shape="rect" coords="0,0,144,24">
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<p>
<a href="classsc_1_1OneBodyDerivIntV3-members.html">List of all members.</a><table border="0" cellpadding="0" cellspacing="0">
<tr><td></td></tr>
<tr><td colspan="2"><br><h2>Public Member Functions</h2></td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="8f6ba16d29f4fbd6b2e1f51dcceb9339"></a><!-- doxytag: member="sc::OneBodyDerivIntV3::OneBodyDerivIntV3" ref="8f6ba16d29f4fbd6b2e1f51dcceb9339" args="(Integral *, const Ref< GaussianBasisSet > &, const Ref< GaussianBasisSet > &, IntegralFunction)" -->
</td><td class="memItemRight" valign="bottom"><b>OneBodyDerivIntV3</b> (<a class="el" href="classsc_1_1Integral.html">Integral</a> *, const <a class="el" href="classsc_1_1Ref.html">Ref</a>< <a class="el" href="classsc_1_1GaussianBasisSet.html">GaussianBasisSet</a> > &, const <a class="el" href="classsc_1_1Ref.html">Ref</a>< <a class="el" href="classsc_1_1GaussianBasisSet.html">GaussianBasisSet</a> > &, IntegralFunction)</td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top">void </td><td class="memItemRight" valign="bottom"><a class="el" href="classsc_1_1OneBodyDerivIntV3.html#224fab238411e2a496598f72706a76c3">compute_shell</a> (int, int, <a class="el" href="classsc_1_1DerivCenters.html">DerivCenters</a> &)</td></tr>
<tr><td class="mdescLeft"> </td><td class="mdescRight"><a class="el" href="classsc_1_1Compute.html" title="The Compute class provides a means of keeping results up to date.">Compute</a> the derivative integrals and place the result in the buffer returned by <a class="el" href="classsc_1_1OneBodyDerivInt.html#63b372c18daaf45e6ea73fe4d8ac8c10" title="The computed shell integrals will be put in the buffer returned by this member.">buffer()</a>. <a href="#224fab238411e2a496598f72706a76c3"></a><br></td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top">void </td><td class="memItemRight" valign="bottom"><a class="el" href="classsc_1_1OneBodyDerivIntV3.html#8484e1f945676904c04d82d0273e812f">compute_shell</a> (int, int, int)</td></tr>
<tr><td class="mdescLeft"> </td><td class="mdescRight"><a class="el" href="classsc_1_1Compute.html" title="The Compute class provides a means of keeping results up to date.">Compute</a> the derivative integrals with respect to the given center and place the result in the buffer returned by <a class="el" href="classsc_1_1OneBodyDerivInt.html#63b372c18daaf45e6ea73fe4d8ac8c10" title="The computed shell integrals will be put in the buffer returned by this member.">buffer()</a>. <a href="#8484e1f945676904c04d82d0273e812f"></a><br></td></tr>
<tr><td colspan="2"><br><h2>Protected Types</h2></td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="a88dd9bd5a8cc2188f14ceb412405614"></a><!-- doxytag: member="sc::OneBodyDerivIntV3::IntegralFunction" ref="a88dd9bd5a8cc2188f14ceb412405614" args=")(int, int, int, int)" -->
typedef void(Int1eV3::* </td><td class="memItemRight" valign="bottom"><b>IntegralFunction</b> )(int, int, int, int)</td></tr>
<tr><td colspan="2"><br><h2>Protected Attributes</h2></td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="283310c22a301ed46df52543483c7a74"></a><!-- doxytag: member="sc::OneBodyDerivIntV3::int1ev3_" ref="283310c22a301ed46df52543483c7a74" args="" -->
<a class="el" href="classsc_1_1Ref.html">Ref</a>< <a class="el" href="classsc_1_1Int1eV3.html">Int1eV3</a> > </td><td class="memItemRight" valign="bottom"><b>int1ev3_</b></td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="82fa9880e4883a310ead44d53c6825c6"></a><!-- doxytag: member="sc::OneBodyDerivIntV3::intfunc_" ref="82fa9880e4883a310ead44d53c6825c6" args="" -->
IntegralFunction </td><td class="memItemRight" valign="bottom"><b>intfunc_</b></td></tr>
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<hr><a name="_details"></a><h2>Detailed Description</h2>
This implements one body derivative integrals in the IntV3 library.
<p>
It is given a function pointer to the <a class="el" href="classsc_1_1Int1eV3.html" title="Int1eV3 is a class wrapper for the one body part of the C language IntV3 library...">Int1eV3</a> member that computes the particular integral of interest. <hr><h2>Member Function Documentation</h2>
<a class="anchor" name="8484e1f945676904c04d82d0273e812f"></a><!-- doxytag: member="sc::OneBodyDerivIntV3::compute_shell" ref="8484e1f945676904c04d82d0273e812f" args="(int, int, int)" -->
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<td class="memname">void sc::OneBodyDerivIntV3::compute_shell </td>
<td>(</td>
<td class="paramtype">int </td>
<td class="paramname"> <em>ish</em>, </td>
</tr>
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<td class="paramkey"></td>
<td></td>
<td class="paramtype">int </td>
<td class="paramname"> <em>jsh</em>, </td>
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<td class="paramkey"></td>
<td></td>
<td class="paramtype">int </td>
<td class="paramname"> <em>center</em></td><td> </td>
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<td></td>
<td>)</td>
<td></td><td></td><td><code> [virtual]</code></td>
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<p>
<a class="el" href="classsc_1_1Compute.html" title="The Compute class provides a means of keeping results up to date.">Compute</a> the derivative integrals with respect to the given center and place the result in the buffer returned by <a class="el" href="classsc_1_1OneBodyDerivInt.html#63b372c18daaf45e6ea73fe4d8ac8c10" title="The computed shell integrals will be put in the buffer returned by this member.">buffer()</a>.
<p>
<p>Implements <a class="el" href="classsc_1_1OneBodyDerivInt.html#61f0cb2ec1d0a450d6034d45726b0516">sc::OneBodyDerivInt</a>.</p>
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<a class="anchor" name="224fab238411e2a496598f72706a76c3"></a><!-- doxytag: member="sc::OneBodyDerivIntV3::compute_shell" ref="224fab238411e2a496598f72706a76c3" args="(int, int, DerivCenters &)" -->
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<div class="memproto">
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<td class="memname">void sc::OneBodyDerivIntV3::compute_shell </td>
<td>(</td>
<td class="paramtype">int </td>
<td class="paramname"> <em>ish</em>, </td>
</tr>
<tr>
<td class="paramkey"></td>
<td></td>
<td class="paramtype">int </td>
<td class="paramname"> <em>jsh</em>, </td>
</tr>
<tr>
<td class="paramkey"></td>
<td></td>
<td class="paramtype"><a class="el" href="classsc_1_1DerivCenters.html">DerivCenters</a> & </td>
<td class="paramname"></td><td> </td>
</tr>
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<td></td>
<td>)</td>
<td></td><td></td><td><code> [virtual]</code></td>
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<div class="memdoc">
<p>
<a class="el" href="classsc_1_1Compute.html" title="The Compute class provides a means of keeping results up to date.">Compute</a> the derivative integrals and place the result in the buffer returned by <a class="el" href="classsc_1_1OneBodyDerivInt.html#63b372c18daaf45e6ea73fe4d8ac8c10" title="The computed shell integrals will be put in the buffer returned by this member.">buffer()</a>.
<p>
<p>Implements <a class="el" href="classsc_1_1OneBodyDerivInt.html#b941f3733104462e9460edd363595cee">sc::OneBodyDerivInt</a>.</p>
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<hr>The documentation for this class was generated from the following file:<ul>
<li><a class="el" href="obintv3_8h_source.html">obintv3.h</a></ul>
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