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<div class="navpath"><b>sc</b>::<a class="el" href="classsc_1_1TwoBodyThreeCenterIntV3.html">TwoBodyThreeCenterIntV3</a>
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<h1>sc::TwoBodyThreeCenterIntV3 Class Reference</h1><!-- doxytag: class="sc::TwoBodyThreeCenterIntV3" --><!-- doxytag: inherits="sc::TwoBodyThreeCenterInt" -->This implements electron repulsion integrals involving three centers in the IntV3 library.
<a href="#_details">More...</a>
<p>
<code>#include <<a class="el" href="tbintv3_8h_source.html">tbintv3.h</a>></code>
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Inheritance diagram for sc::TwoBodyThreeCenterIntV3:</div>
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<p><center><img src="classsc_1_1TwoBodyThreeCenterIntV3.png" usemap="#sc::TwoBodyThreeCenterIntV3_map" border="0" alt=""></center>
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<area href="classsc_1_1TwoBodyThreeCenterInt.html" alt="sc::TwoBodyThreeCenterInt" shape="rect" coords="0,112,183,136">
<area href="classsc_1_1RefCount.html" alt="sc::RefCount" shape="rect" coords="0,56,183,80">
<area href="classsc_1_1Identity.html" alt="sc::Identity" shape="rect" coords="0,0,183,24">
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<a href="classsc_1_1TwoBodyThreeCenterIntV3-members.html">List of all members.</a><table border="0" cellpadding="0" cellspacing="0">
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<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="f3b33e61b2cc0f009584d67a2d8876a4"></a><!-- doxytag: member="sc::TwoBodyThreeCenterIntV3::TwoBodyThreeCenterIntV3" ref="f3b33e61b2cc0f009584d67a2d8876a4" args="(Integral *integral, const Ref< GaussianBasisSet > &b1, const Ref< GaussianBasisSet > &b2, const Ref< GaussianBasisSet > &b3, size_t storage)" -->
</td><td class="memItemRight" valign="bottom"><b>TwoBodyThreeCenterIntV3</b> (<a class="el" href="classsc_1_1Integral.html">Integral</a> *integral, const <a class="el" href="classsc_1_1Ref.html">Ref</a>< <a class="el" href="classsc_1_1GaussianBasisSet.html">GaussianBasisSet</a> > &b1, const <a class="el" href="classsc_1_1Ref.html">Ref</a>< <a class="el" href="classsc_1_1GaussianBasisSet.html">GaussianBasisSet</a> > &b2, const <a class="el" href="classsc_1_1Ref.html">Ref</a>< <a class="el" href="classsc_1_1GaussianBasisSet.html">GaussianBasisSet</a> > &b3, size_t storage)</td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top">int </td><td class="memItemRight" valign="bottom"><a class="el" href="classsc_1_1TwoBodyThreeCenterIntV3.html#f06bcd5af1285bd538898cb12503ffca">log2_shell_bound</a> (int, int, int)</td></tr>
<tr><td class="mdescLeft"> </td><td class="mdescRight">Return log base 2 of the maximum magnitude of any integral in a shell block obtained from compute_shell. <a href="#f06bcd5af1285bd538898cb12503ffca"></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_1TwoBodyThreeCenterIntV3.html#11d9ecbd1b00f07bee1e7f6cba487a08">compute_shell</a> (int, int, int)</td></tr>
<tr><td class="mdescLeft"> </td><td class="mdescRight">Given three shell indices, integrals will be computed and placed in the buffer. <a href="#11d9ecbd1b00f07bee1e7f6cba487a08"></a><br></td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="f1538435e1d59d23eb8d0d258cd84f35"></a><!-- doxytag: member="sc::TwoBodyThreeCenterIntV3::storage_used" ref="f1538435e1d59d23eb8d0d258cd84f35" args="()" -->
size_t </td><td class="memItemRight" valign="bottom"><b>storage_used</b> ()</td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="fbdf1c85501312709b25ab221a42c203"></a><!-- doxytag: member="sc::TwoBodyThreeCenterIntV3::set_integral_storage" ref="fbdf1c85501312709b25ab221a42c203" args="(size_t storage)" -->
void </td><td class="memItemRight" valign="bottom"><a class="el" href="classsc_1_1TwoBodyThreeCenterIntV3.html#fbdf1c85501312709b25ab221a42c203">set_integral_storage</a> (size_t storage)</td></tr>
<tr><td class="mdescLeft"> </td><td class="mdescRight">This storage is used to cache computed integrals. <br></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="e3054c60dedbd7893cae841d2f2ba7e5"></a><!-- doxytag: member="sc::TwoBodyThreeCenterIntV3::int2ev3_" ref="e3054c60dedbd7893cae841d2f2ba7e5" args="" -->
<a class="el" href="classsc_1_1Ref.html">Ref</a>< <a class="el" href="classsc_1_1Int2eV3.html">Int2eV3</a> > </td><td class="memItemRight" valign="bottom"><b>int2ev3_</b></td></tr>
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<hr><a name="_details"></a><h2>Detailed Description</h2>
This implements electron repulsion integrals involving three centers in the IntV3 library.
<p>
<hr><h2>Member Function Documentation</h2>
<a class="anchor" name="11d9ecbd1b00f07bee1e7f6cba487a08"></a><!-- doxytag: member="sc::TwoBodyThreeCenterIntV3::compute_shell" ref="11d9ecbd1b00f07bee1e7f6cba487a08" args="(int, int, int)" -->
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<td class="memname">void sc::TwoBodyThreeCenterIntV3::compute_shell </td>
<td>(</td>
<td class="paramtype">int </td>
<td class="paramname">, </td>
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<td class="paramkey"></td>
<td></td>
<td class="paramtype">int </td>
<td class="paramname">, </td>
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<td class="paramkey"></td>
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<td class="paramtype">int </td>
<td class="paramname"></td><td> </td>
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<td>)</td>
<td></td><td></td><td><code> [virtual]</code></td>
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<p>
Given three shell indices, integrals will be computed and placed in the buffer.
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The first two indices correspond to electron 1 and the second index corresponds to electron 2.
<p>Implements <a class="el" href="classsc_1_1TwoBodyThreeCenterInt.html#8d5b8e5bde6cbea06a5d2012c299c1fa">sc::TwoBodyThreeCenterInt</a>.</p>
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<a class="anchor" name="f06bcd5af1285bd538898cb12503ffca"></a><!-- doxytag: member="sc::TwoBodyThreeCenterIntV3::log2_shell_bound" ref="f06bcd5af1285bd538898cb12503ffca" args="(int, int, int)" -->
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<td class="memname">int sc::TwoBodyThreeCenterIntV3::log2_shell_bound </td>
<td>(</td>
<td class="paramtype">int </td>
<td class="paramname">, </td>
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<td class="paramkey"></td>
<td></td>
<td class="paramtype">int </td>
<td class="paramname">, </td>
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<td class="paramkey"></td>
<td></td>
<td class="paramtype">int </td>
<td class="paramname"></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>
Return log base 2 of the maximum magnitude of any integral in a shell block obtained from compute_shell.
<p>
An index of -1 for any argument indicates any shell.
<p>Implements <a class="el" href="classsc_1_1TwoBodyThreeCenterInt.html#de7c7c0cba1861fab3ca00ccacb1cfb6">sc::TwoBodyThreeCenterInt</a>.</p>
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<hr>The documentation for this class was generated from the following file:<ul>
<li><a class="el" href="tbintv3_8h_source.html">tbintv3.h</a></ul>
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