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<div class="navpath"><b>sc</b>::<a class="el" href="classsc_1_1TwoBodyIntCints.html">TwoBodyIntCints</a>
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<h1>sc::TwoBodyIntCints Class Reference</h1><!-- doxytag: class="sc::TwoBodyIntCints" --><!-- doxytag: inherits="sc::TwoBodyInt" -->This implements electron repulsion integrals in the IntCints library.
<a href="#_details">More...</a>
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<code>#include <<a class="el" href="tbintcints_8h_source.html">tbintcints.h</a>></code>
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Inheritance diagram for sc::TwoBodyIntCints:</div>
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<p><center><img src="classsc_1_1TwoBodyIntCints.png" usemap="#sc::TwoBodyIntCints_map" border="0" alt=""></center>
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<area href="classsc_1_1TwoBodyInt.html" alt="sc::TwoBodyInt" shape="rect" coords="0,112,124,136">
<area href="classsc_1_1RefCount.html" alt="sc::RefCount" shape="rect" coords="0,56,124,80">
<area href="classsc_1_1Identity.html" alt="sc::Identity" shape="rect" coords="0,0,124,24">
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<a href="classsc_1_1TwoBodyIntCints-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="848b9910b8a7bf2232a81656bd3f174b"></a><!-- doxytag: member="sc::TwoBodyIntCints::TwoBodyIntCints" ref="848b9910b8a7bf2232a81656bd3f174b" args="(Integral *integral, const Ref< GaussianBasisSet > &b1, const Ref< GaussianBasisSet > &b2, const Ref< GaussianBasisSet > &b3, const Ref< GaussianBasisSet > &b4, size_t storage, tbinteval int2etype)" -->
</td><td class="memItemRight" valign="bottom"><b>TwoBodyIntCints</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, const <a class="el" href="classsc_1_1Ref.html">Ref</a>< <a class="el" href="classsc_1_1GaussianBasisSet.html">GaussianBasisSet</a> > &b4, size_t storage, tbinteval int2etype)</td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top">int </td><td class="memItemRight" valign="bottom"><a class="el" href="classsc_1_1TwoBodyIntCints.html#e4fdb2c01087c4a666cb5a530c6b7c72">log2_shell_bound</a> (int, 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="#e4fdb2c01087c4a666cb5a530c6b7c72"></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_1TwoBodyIntCints.html#48a318b5e482aa5b8fd87095ba1b1cfb">compute_shell</a> (int, int, int, int)</td></tr>
<tr><td class="mdescLeft"> </td><td class="mdescRight">Given four shell indices, integrals will be computed and placed in the buffer. <a href="#48a318b5e482aa5b8fd87095ba1b1cfb"></a><br></td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="fc150016662426b3f7152720cc22d6b1"></a><!-- doxytag: member="sc::TwoBodyIntCints::used_storage" ref="fc150016662426b3f7152720cc22d6b1" args="() const " -->
size_t </td><td class="memItemRight" valign="bottom"><b>used_storage</b> () const </td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="2225ee7af8303d07b276cce0de7b120a"></a><!-- doxytag: member="sc::TwoBodyIntCints::set_integral_storage" ref="2225ee7af8303d07b276cce0de7b120a" args="(size_t storage)" -->
void </td><td class="memItemRight" valign="bottom"><a class="el" href="classsc_1_1TwoBodyIntCints.html#2225ee7af8303d07b276cce0de7b120a">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 class="memItemLeft" nowrap align="right" valign="top">const double * </td><td class="memItemRight" valign="bottom"><a class="el" href="classsc_1_1TwoBodyIntCints.html#d98bd834fff500cc5c05fe5d4e6ccb67">buffer</a> (<a class="el" href="classsc_1_1TwoBodyInt.html#bdb2ef0bc352b1fc45d24762db128740">tbint_type</a> te_type) const </td></tr>
<tr><td class="mdescLeft"> </td><td class="mdescRight">The computed shell integrals will be put in the buffer returned by this member. <a href="#d98bd834fff500cc5c05fe5d4e6ccb67"></a><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="62c9b067e2512002fda4efc12e1cea42"></a><!-- doxytag: member="sc::TwoBodyIntCints::int2ecints_" ref="62c9b067e2512002fda4efc12e1cea42" args="" -->
<a class="el" href="classsc_1_1Ref.html">Ref</a>< <a class="el" href="classsc_1_1Int2eCints.html">Int2eCints</a> > </td><td class="memItemRight" valign="bottom"><b>int2ecints_</b></td></tr>
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<hr><a name="_details"></a><h2>Detailed Description</h2>
This implements electron repulsion integrals in the IntCints library.
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<hr><h2>Member Function Documentation</h2>
<a class="anchor" name="d98bd834fff500cc5c05fe5d4e6ccb67"></a><!-- doxytag: member="sc::TwoBodyIntCints::buffer" ref="d98bd834fff500cc5c05fe5d4e6ccb67" args="(tbint_type te_type) const " -->
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<td class="memname">const double* sc::TwoBodyIntCints::buffer </td>
<td>(</td>
<td class="paramtype"><a class="el" href="classsc_1_1TwoBodyInt.html#bdb2ef0bc352b1fc45d24762db128740">tbint_type</a> </td>
<td class="paramname"> <em>type</em> </td>
<td> ) </td>
<td> const<code> [inline, virtual]</code></td>
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The computed shell integrals will be put in the buffer returned by this member.
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Some <a class="el" href="classsc_1_1TwoBodyInt.html" title="This is an abstract base type for classes that compute integrals involving two electrons...">TwoBodyInt</a> specializations have more than one buffer: The type arguments selects which buffer is returned. If the requested type is not supported, then 0 is returned.
<p>Reimplemented from <a class="el" href="classsc_1_1TwoBodyInt.html#b24568aed97fba3ae323fc6651074aa6">sc::TwoBodyInt</a>.</p>
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<a class="anchor" name="48a318b5e482aa5b8fd87095ba1b1cfb"></a><!-- doxytag: member="sc::TwoBodyIntCints::compute_shell" ref="48a318b5e482aa5b8fd87095ba1b1cfb" args="(int, int, int, int)" -->
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<td class="memname">void sc::TwoBodyIntCints::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="paramtype">int </td>
<td class="paramname">, </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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Given four 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 two indices correspond to electron 2.
<p>Implements <a class="el" href="classsc_1_1TwoBodyInt.html#8d1110a67d7886e6251a5d8158f603ed">sc::TwoBodyInt</a>.</p>
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<a class="anchor" name="e4fdb2c01087c4a666cb5a530c6b7c72"></a><!-- doxytag: member="sc::TwoBodyIntCints::log2_shell_bound" ref="e4fdb2c01087c4a666cb5a530c6b7c72" args="(int, int, int, int)" -->
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<td class="memname">int sc::TwoBodyIntCints::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>
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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>
Return log base 2 of the maximum magnitude of any integral in a shell block obtained from compute_shell.
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An index of -1 for any argument indicates any shell.
<p>Implements <a class="el" href="classsc_1_1TwoBodyInt.html#31e5b92b6c787ab65e76399eaae50389">sc::TwoBodyInt</a>.</p>
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<hr>The documentation for this class was generated from the following file:<ul>
<li><a class="el" href="tbintcints_8h_source.html">tbintcints.h</a></ul>
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