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<div class="navpath"><b>sc</b>::<a class="el" href="classsc_1_1OneBodyIntCints.html">OneBodyIntCints</a>
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<h1>sc::OneBodyIntCints Class Reference</h1><!-- doxytag: class="sc::OneBodyIntCints" --><!-- doxytag: inherits="sc::OneBodyInt" -->This implements most one body integrals in the Cints library.
<a href="#_details">More...</a>
<p>
<code>#include <<a class="el" href="obintcints_8h_source.html">obintcints.h</a>></code>
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Inheritance diagram for sc::OneBodyIntCints:</div>
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<p><center><img src="classsc_1_1OneBodyIntCints.png" usemap="#sc::OneBodyIntCints_map" border="0" alt=""></center>
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<area href="classsc_1_1OneBodyInt.html" alt="sc::OneBodyInt" shape="rect" coords="0,112,125,136">
<area href="classsc_1_1RefCount.html" alt="sc::RefCount" shape="rect" coords="0,56,125,80">
<area href="classsc_1_1Identity.html" alt="sc::Identity" shape="rect" coords="0,0,125,24">
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<a href="classsc_1_1OneBodyIntCints-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="7b2a4257f387f9acc553f46584758a70"></a><!-- doxytag: member="sc::OneBodyIntCints::OneBodyIntCints" ref="7b2a4257f387f9acc553f46584758a70" args="(Integral *, const Ref< GaussianBasisSet > &, const Ref< GaussianBasisSet > &, IntegralFunction)" -->
</td><td class="memItemRight" valign="bottom"><b>OneBodyIntCints</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"><a class="anchor" name="5ec983c030b574d771ad73d018b6a7d9"></a><!-- doxytag: member="sc::OneBodyIntCints::set_multipole_origin" ref="5ec983c030b574d771ad73d018b6a7d9" args="(const Ref< DipoleData > &)" -->
void </td><td class="memItemRight" valign="bottom"><b>set_multipole_origin</b> (const <a class="el" href="classsc_1_1Ref.html">Ref</a>< DipoleData > &)</td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="62fe624e926ebd95dcd07e7211b610a1"></a><!-- doxytag: member="sc::OneBodyIntCints::set_EdotV_origin" ref="62fe624e926ebd95dcd07e7211b610a1" args="(const Ref< EfieldDotVectorData > &)" -->
void </td><td class="memItemRight" valign="bottom"><b>set_EdotV_origin</b> (const <a class="el" href="classsc_1_1Ref.html">Ref</a>< EfieldDotVectorData > &)</td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="9400db976221b6ea012c1140bc376948"></a><!-- doxytag: member="sc::OneBodyIntCints::set_Q_origin" ref="9400db976221b6ea012c1140bc376948" args="(const Ref< PointChargeData > &)" -->
void </td><td class="memItemRight" valign="bottom"><b>set_Q_origin</b> (const <a class="el" href="classsc_1_1Ref.html">Ref</a>< PointChargeData > &)</td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top">void </td><td class="memItemRight" valign="bottom"><a class="el" href="classsc_1_1OneBodyIntCints.html#a10bfe78b9ee71c6f5665d45319e7ec3">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="#a10bfe78b9ee71c6f5665d45319e7ec3"></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_1OneBodyIntCints.html#c112495b905e7ef6234ec5f5fdeacae8">cloneable</a> ()</td></tr>
<tr><td class="mdescLeft"> </td><td class="mdescRight">Return true if the clone member can be called. <a href="#c112495b905e7ef6234ec5f5fdeacae8"></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_1OneBodyIntCints.html#fda06361a19e5b3267a0464e96e08b04">clone</a> ()</td></tr>
<tr><td class="mdescLeft"> </td><td class="mdescRight">Returns a clone of this. <a href="#fda06361a19e5b3267a0464e96e08b04"></a><br></td></tr>
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<hr><a name="_details"></a><h2>Detailed Description</h2>
This implements most one body integrals in the Cints library.
<p>
It is given a function pointer to the Int1e member that computes the particular integral of interest. <hr><h2>Member Function Documentation</h2>
<a class="anchor" name="fda06361a19e5b3267a0464e96e08b04"></a><!-- doxytag: member="sc::OneBodyIntCints::clone" ref="fda06361a19e5b3267a0464e96e08b04" 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::OneBodyIntCints::clone </td>
<td>(</td>
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<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="c112495b905e7ef6234ec5f5fdeacae8"></a><!-- doxytag: member="sc::OneBodyIntCints::cloneable" ref="c112495b905e7ef6234ec5f5fdeacae8" args="()" -->
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<td class="memname">bool sc::OneBodyIntCints::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="a10bfe78b9ee71c6f5665d45319e7ec3"></a><!-- doxytag: member="sc::OneBodyIntCints::compute_shell" ref="a10bfe78b9ee71c6f5665d45319e7ec3" args="(int, int)" -->
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<td class="memname">void sc::OneBodyIntCints::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><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="obintcints_8h_source.html">obintcints.h</a></ul>
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