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<div class="navpath"><b>sc</b>::<a class="el" href="classsc_1_1OneBodyIntV3.html">OneBodyIntV3</a>
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<h1>sc::OneBodyIntV3 Class Reference</h1><!-- doxytag: class="sc::OneBodyIntV3" --><!-- doxytag: inherits="sc::OneBodyInt" -->This implements most one body 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::OneBodyIntV3:</div>
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<p><center><img src="classsc_1_1OneBodyIntV3.png" usemap="#sc::OneBodyIntV3_map" border="0" alt=""></center>
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<area href="classsc_1_1OneBodyInt.html" alt="sc::OneBodyInt" shape="rect" coords="0,112,113,136">
<area href="classsc_1_1RefCount.html" alt="sc::RefCount" shape="rect" coords="0,56,113,80">
<area href="classsc_1_1Identity.html" alt="sc::Identity" shape="rect" coords="0,0,113,24">
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<p>
<a href="classsc_1_1OneBodyIntV3-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="d3809c0e2f44591156ca223ae259d5f4"></a><!-- doxytag: member="sc::OneBodyIntV3::OneBodyIntV3" ref="d3809c0e2f44591156ca223ae259d5f4" args="(Integral *, const Ref< GaussianBasisSet > &, const Ref< GaussianBasisSet > &, IntegralFunction)" -->
</td><td class="memItemRight" valign="bottom"><b>OneBodyIntV3</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_1OneBodyIntV3.html#104704c8a9bae1149a9f935ee394a3d6">compute_shell</a> (int, int)</td></tr>
<tr><td class="mdescLeft"> </td><td class="mdescRight">Computes the integrals between basis functions in the given shell pair. <a href="#104704c8a9bae1149a9f935ee394a3d6"></a><br></td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top">bool </td><td class="memItemRight" valign="bottom"><a class="el" href="classsc_1_1OneBodyIntV3.html#03c32cfd994d66fa7e45446c5328df8d">cloneable</a> ()</td></tr>
<tr><td class="mdescLeft"> </td><td class="mdescRight">Return true if the clone member can be called. <a href="#03c32cfd994d66fa7e45446c5328df8d"></a><br></td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="el" href="classsc_1_1Ref.html">Ref</a>< <a class="el" href="classsc_1_1OneBodyInt.html">OneBodyInt</a> > </td><td class="memItemRight" valign="bottom"><a class="el" href="classsc_1_1OneBodyIntV3.html#1070a2b8576db7f0fc0fc0de051095ea">clone</a> ()</td></tr>
<tr><td class="mdescLeft"> </td><td class="mdescRight">Returns a clone of this. <a href="#1070a2b8576db7f0fc0fc0de051095ea"></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="cecb1c1320d5cce6f78785ce27437300"></a><!-- doxytag: member="sc::OneBodyIntV3::IntegralFunction" ref="cecb1c1320d5cce6f78785ce27437300" args=")(int, int)" -->
typedef void(Int1eV3::* </td><td class="memItemRight" valign="bottom"><b>IntegralFunction</b> )(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="6b0800f6ac097f2193db7c1eebb5e1e1"></a><!-- doxytag: member="sc::OneBodyIntV3::int1ev3_" ref="6b0800f6ac097f2193db7c1eebb5e1e1" 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="083c8b641177412d8b11286e423034b7"></a><!-- doxytag: member="sc::OneBodyIntV3::intfunc_" ref="083c8b641177412d8b11286e423034b7" 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 most one body 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="1070a2b8576db7f0fc0fc0de051095ea"></a><!-- doxytag: member="sc::OneBodyIntV3::clone" ref="1070a2b8576db7f0fc0fc0de051095ea" args="()" -->
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<td class="memname"><a class="el" href="classsc_1_1Ref.html">Ref</a><<a class="el" href="classsc_1_1OneBodyInt.html">OneBodyInt</a>> sc::OneBodyIntV3::clone </td>
<td>(</td>
<td class="paramname"> </td>
<td> ) </td>
<td><code> [virtual]</code></td>
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<p>
Returns a clone of this.
<p>
The default implementation throws an exception.
<p>Reimplemented from <a class="el" href="classsc_1_1OneBodyInt.html#3b16e311f8848bfa54a241ad26868054">sc::OneBodyInt</a>.</p>
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<a class="anchor" name="03c32cfd994d66fa7e45446c5328df8d"></a><!-- doxytag: member="sc::OneBodyIntV3::cloneable" ref="03c32cfd994d66fa7e45446c5328df8d" args="()" -->
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<td class="memname">bool sc::OneBodyIntV3::cloneable </td>
<td>(</td>
<td class="paramname"> </td>
<td> ) </td>
<td><code> [virtual]</code></td>
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<p>
Return true if the clone member can be called.
<p>
The default implementation returns false.
<p>Reimplemented from <a class="el" href="classsc_1_1OneBodyInt.html#12742d3950a334088e26c7665dd7731b">sc::OneBodyInt</a>.</p>
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<a class="anchor" name="104704c8a9bae1149a9f935ee394a3d6"></a><!-- doxytag: member="sc::OneBodyIntV3::compute_shell" ref="104704c8a9bae1149a9f935ee394a3d6" args="(int, int)" -->
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<td class="memname">void sc::OneBodyIntV3::compute_shell </td>
<td>(</td>
<td class="paramtype">int </td>
<td class="paramname">, </td>
</tr>
<tr>
<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>
Computes the integrals between basis functions in the given shell pair.
<p>
<p>Implements <a class="el" href="classsc_1_1OneBodyInt.html#8038540248bb51a27cebed5b35a91576">sc::OneBodyInt</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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Mandriva
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2010.0
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i586
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media
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contrib-release
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by-pkgid
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247b28499c443e092731ffba814075f2
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files
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