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  <div class="navpath"><b>sc</b>::<a class="el" href="classsc_1_1OneBodyOneCenterInt.html">OneBodyOneCenterInt</a>
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<h1>sc::OneBodyOneCenterInt Class Reference</h1><!-- doxytag: class="sc::OneBodyOneCenterInt" --><!-- doxytag: inherits="sc::RefCount" --><a class="el" href="classsc_1_1OneBodyOneCenterInt.html" title="OneBodyOneCenterInt is an abstract base class for objects that compute integrals...">OneBodyOneCenterInt</a> is an abstract base class for objects that compute integrals between two basis functions.  
<a href="#_details">More...</a>
<p>
<code>#include &lt;<a class="el" href="obint_8h_source.html">obint.h</a>&gt;</code>
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<div class="dynheader">
Inheritance diagram for sc::OneBodyOneCenterInt:</div>
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<p><center><img src="classsc_1_1OneBodyOneCenterInt.png" usemap="#sc::OneBodyOneCenterInt_map" border="0" alt=""></center>
<map name="sc::OneBodyOneCenterInt_map">
<area href="classsc_1_1RefCount.html" alt="sc::RefCount" shape="rect" coords="0,56,159,80">
<area href="classsc_1_1Identity.html" alt="sc::Identity" shape="rect" coords="0,0,159,24">
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<p>
<a href="classsc_1_1OneBodyOneCenterInt-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="f47fd2fe062d57a555705d1bcb07aefa"></a><!-- doxytag: member="sc::OneBodyOneCenterInt::nbasis" ref="f47fd2fe062d57a555705d1bcb07aefa" args="() const " -->
int&nbsp;</td><td class="memItemRight" valign="bottom"><a class="el" href="classsc_1_1OneBodyOneCenterInt.html#f47fd2fe062d57a555705d1bcb07aefa">nbasis</a> () const </td></tr>

<tr><td class="mdescLeft">&nbsp;</td><td class="mdescRight">Returns the number of basis functions on center one. <br></td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="1398854a93ae1546c392f99a563b352a"></a><!-- doxytag: member="sc::OneBodyOneCenterInt::nbasis1" ref="1398854a93ae1546c392f99a563b352a" args="() const " -->
int&nbsp;</td><td class="memItemRight" valign="bottom"><a class="el" href="classsc_1_1OneBodyOneCenterInt.html#1398854a93ae1546c392f99a563b352a">nbasis1</a> () const </td></tr>

<tr><td class="mdescLeft">&nbsp;</td><td class="mdescRight">Returns the number of basis functions on the center one. <br></td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="67b439ae29506de5b0059a7d10c8a698"></a><!-- doxytag: member="sc::OneBodyOneCenterInt::nshell" ref="67b439ae29506de5b0059a7d10c8a698" args="() const " -->
int&nbsp;</td><td class="memItemRight" valign="bottom"><a class="el" href="classsc_1_1OneBodyOneCenterInt.html#67b439ae29506de5b0059a7d10c8a698">nshell</a> () const </td></tr>

<tr><td class="mdescLeft">&nbsp;</td><td class="mdescRight">Return the number of shells on center one. <br></td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="5a77309b4743575a4302139aa4b6f6dc"></a><!-- doxytag: member="sc::OneBodyOneCenterInt::nshell1" ref="5a77309b4743575a4302139aa4b6f6dc" args="() const " -->
int&nbsp;</td><td class="memItemRight" valign="bottom"><a class="el" href="classsc_1_1OneBodyOneCenterInt.html#5a77309b4743575a4302139aa4b6f6dc">nshell1</a> () const </td></tr>

<tr><td class="mdescLeft">&nbsp;</td><td class="mdescRight">Return the number of shells on the center one. <br></td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="448d6d44c73cf4172c4d8991bb09a8fe"></a><!-- doxytag: member="sc::OneBodyOneCenterInt::basis" ref="448d6d44c73cf4172c4d8991bb09a8fe" args="()" -->
<a class="el" href="classsc_1_1Ref.html">Ref</a>&lt; <a class="el" href="classsc_1_1GaussianBasisSet.html">GaussianBasisSet</a> &gt;&nbsp;</td><td class="memItemRight" valign="bottom"><a class="el" href="classsc_1_1OneBodyOneCenterInt.html#448d6d44c73cf4172c4d8991bb09a8fe">basis</a> ()</td></tr>

<tr><td class="mdescLeft">&nbsp;</td><td class="mdescRight">Return the basis set on center one. <br></td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="5428ac001c7f82beaa21b1cc6ec22993"></a><!-- doxytag: member="sc::OneBodyOneCenterInt::basis1" ref="5428ac001c7f82beaa21b1cc6ec22993" args="()" -->
<a class="el" href="classsc_1_1Ref.html">Ref</a>&lt; <a class="el" href="classsc_1_1GaussianBasisSet.html">GaussianBasisSet</a> &gt;&nbsp;</td><td class="memItemRight" valign="bottom"><a class="el" href="classsc_1_1OneBodyOneCenterInt.html#5428ac001c7f82beaa21b1cc6ec22993">basis1</a> ()</td></tr>

<tr><td class="mdescLeft">&nbsp;</td><td class="mdescRight">Return the basis set on the center one. <br></td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="e69634979b51cf28e15041e03380ce30"></a><!-- doxytag: member="sc::OneBodyOneCenterInt::buffer" ref="e69634979b51cf28e15041e03380ce30" args="() const " -->
const double *&nbsp;</td><td class="memItemRight" valign="bottom"><a class="el" href="classsc_1_1OneBodyOneCenterInt.html#e69634979b51cf28e15041e03380ce30">buffer</a> () const </td></tr>

<tr><td class="mdescLeft">&nbsp;</td><td class="mdescRight">Returns the buffer where the integrals are placed. <br></td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top">virtual void&nbsp;</td><td class="memItemRight" valign="bottom"><a class="el" href="classsc_1_1OneBodyOneCenterInt.html#d706f347cfe5f2cbf8a2c5e01fdee74b">compute_shell</a> (int)=0</td></tr>

<tr><td class="mdescLeft">&nbsp;</td><td class="mdescRight">Computes the integrals for basis functions on the given shell.  <a href="#d706f347cfe5f2cbf8a2c5e01fdee74b"></a><br></td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top">virtual void&nbsp;</td><td class="memItemRight" valign="bottom"><a class="el" href="classsc_1_1OneBodyOneCenterInt.html#6bf12ec1ee66c5220e7914aa3796d15a">reinitialize</a> ()</td></tr>

<tr><td class="mdescLeft">&nbsp;</td><td class="mdescRight">This is called for one body integrals that take data to let them know that the data they reference has changed.  <a href="#6bf12ec1ee66c5220e7914aa3796d15a"></a><br></td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top">virtual bool&nbsp;</td><td class="memItemRight" valign="bottom"><a class="el" href="classsc_1_1OneBodyOneCenterInt.html#4835be929d512ed8d556893ce29e9e01">cloneable</a> ()</td></tr>

<tr><td class="mdescLeft">&nbsp;</td><td class="mdescRight">Return true if the clone member can be called.  <a href="#4835be929d512ed8d556893ce29e9e01"></a><br></td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top">virtual <a class="el" href="classsc_1_1Ref.html">Ref</a>&lt; <a class="el" href="classsc_1_1OneBodyOneCenterInt.html">OneBodyOneCenterInt</a> &gt;&nbsp;</td><td class="memItemRight" valign="bottom"><a class="el" href="classsc_1_1OneBodyOneCenterInt.html#2e9138f01bda25eb8d8561215b97e52d">clone</a> ()</td></tr>

<tr><td class="mdescLeft">&nbsp;</td><td class="mdescRight">Returns a clone of this.  <a href="#2e9138f01bda25eb8d8561215b97e52d"></a><br></td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="993aa00c46e0d3c85908f1aad13179c5"></a><!-- doxytag: member="sc::OneBodyOneCenterInt::integral" ref="993aa00c46e0d3c85908f1aad13179c5" args="() const " -->
<a class="el" href="classsc_1_1Integral.html">Integral</a> *&nbsp;</td><td class="memItemRight" valign="bottom"><b>integral</b> () const </td></tr>

<tr><td colspan="2"><br><h2>Protected Member Functions</h2></td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="0b37c4383757d8a4d0e41078b5494f56"></a><!-- doxytag: member="sc::OneBodyOneCenterInt::OneBodyOneCenterInt" ref="0b37c4383757d8a4d0e41078b5494f56" args="(Integral *integral, const Ref&lt; GaussianBasisSet &gt; &amp;b1)" -->
&nbsp;</td><td class="memItemRight" valign="bottom"><b>OneBodyOneCenterInt</b> (<a class="el" href="classsc_1_1Integral.html">Integral</a> *integral, const <a class="el" href="classsc_1_1Ref.html">Ref</a>&lt; <a class="el" href="classsc_1_1GaussianBasisSet.html">GaussianBasisSet</a> &gt; &amp;b1)</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="95e53ec60be6d2666a3f129b5ca2a80d"></a><!-- doxytag: member="sc::OneBodyOneCenterInt::integral_" ref="95e53ec60be6d2666a3f129b5ca2a80d" args="" -->
<a class="el" href="classsc_1_1Integral.html">Integral</a> *&nbsp;</td><td class="memItemRight" valign="bottom"><b>integral_</b></td></tr>

<tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="ac86332e1ac63452f09019a2429bcc5d"></a><!-- doxytag: member="sc::OneBodyOneCenterInt::bs1_" ref="ac86332e1ac63452f09019a2429bcc5d" args="" -->
<a class="el" href="classsc_1_1Ref.html">Ref</a>&lt; <a class="el" href="classsc_1_1GaussianBasisSet.html">GaussianBasisSet</a> &gt;&nbsp;</td><td class="memItemRight" valign="bottom"><b>bs1_</b></td></tr>

<tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="095de813125c1c593d78aa85d6a646f5"></a><!-- doxytag: member="sc::OneBodyOneCenterInt::buffer_" ref="095de813125c1c593d78aa85d6a646f5" args="" -->
double *&nbsp;</td><td class="memItemRight" valign="bottom"><b>buffer_</b></td></tr>

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<hr><a name="_details"></a><h2>Detailed Description</h2>
<a class="el" href="classsc_1_1OneBodyOneCenterInt.html" title="OneBodyOneCenterInt is an abstract base class for objects that compute integrals...">OneBodyOneCenterInt</a> is an abstract base class for objects that compute integrals between two basis functions. 
<p>
<hr><h2>Member Function Documentation</h2>
<a class="anchor" name="2e9138f01bda25eb8d8561215b97e52d"></a><!-- doxytag: member="sc::OneBodyOneCenterInt::clone" ref="2e9138f01bda25eb8d8561215b97e52d" args="()" -->
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          <td class="memname">virtual <a class="el" href="classsc_1_1Ref.html">Ref</a>&lt;<a class="el" href="classsc_1_1OneBodyOneCenterInt.html">OneBodyOneCenterInt</a>&gt; sc::OneBodyOneCenterInt::clone           </td>
          <td>(</td>
          <td class="paramname">          </td>
          <td>&nbsp;)&nbsp;</td>
          <td><code> [virtual]</code></td>
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<p>
Returns a clone of this. 
<p>
The default implementation throws an exception. 
</div>
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<a class="anchor" name="4835be929d512ed8d556893ce29e9e01"></a><!-- doxytag: member="sc::OneBodyOneCenterInt::cloneable" ref="4835be929d512ed8d556893ce29e9e01" args="()" -->
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          <td class="memname">virtual bool sc::OneBodyOneCenterInt::cloneable           </td>
          <td>(</td>
          <td class="paramname">          </td>
          <td>&nbsp;)&nbsp;</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. 
</div>
</div><p>
<a class="anchor" name="d706f347cfe5f2cbf8a2c5e01fdee74b"></a><!-- doxytag: member="sc::OneBodyOneCenterInt::compute_shell" ref="d706f347cfe5f2cbf8a2c5e01fdee74b" args="(int)=0" -->
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          <td class="memname">virtual void sc::OneBodyOneCenterInt::compute_shell           </td>
          <td>(</td>
          <td class="paramtype">int&nbsp;</td>
          <td class="paramname">          </td>
          <td>&nbsp;)&nbsp;</td>
          <td><code> [pure virtual]</code></td>
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      </table>
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<p>
Computes the integrals for basis functions on the given shell. 
<p>

</div>
</div><p>
<a class="anchor" name="6bf12ec1ee66c5220e7914aa3796d15a"></a><!-- doxytag: member="sc::OneBodyOneCenterInt::reinitialize" ref="6bf12ec1ee66c5220e7914aa3796d15a" args="()" -->
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          <td class="memname">virtual void sc::OneBodyOneCenterInt::reinitialize           </td>
          <td>(</td>
          <td class="paramname">          </td>
          <td>&nbsp;)&nbsp;</td>
          <td><code> [virtual]</code></td>
        </tr>
      </table>
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<p>
This is called for one body integrals that take data to let them know that the data they reference has changed. 
<p>

</div>
</div><p>
<hr>The documentation for this class was generated from the following file:<ul>
<li><a class="el" href="obint_8h_source.html">obint.h</a></ul>
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