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  <div class="navpath"><b>sc</b>::<a class="el" href="classsc_1_1TwoBodyDerivInt.html">TwoBodyDerivInt</a>
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<h1>sc::TwoBodyDerivInt Class Reference</h1><!-- doxytag: class="sc::TwoBodyDerivInt" --><!-- doxytag: inherits="sc::RefCount" -->This is an abstract base type for classes that compute integrals involving two electrons.  
<a href="#_details">More...</a>
<p>
<code>#include &lt;<a class="el" href="tbint_8h_source.html">tbint.h</a>&gt;</code>
<p>
<div class="dynheader">
Inheritance diagram for sc::TwoBodyDerivInt:</div>
<div class="dynsection">

<p><center><img src="classsc_1_1TwoBodyDerivInt.png" usemap="#sc::TwoBodyDerivInt_map" border="0" alt=""></center>
<map name="sc::TwoBodyDerivInt_map">
<area href="classsc_1_1RefCount.html" alt="sc::RefCount" shape="rect" coords="165,56,320,80">
<area href="classsc_1_1Identity.html" alt="sc::Identity" shape="rect" coords="165,0,320,24">
<area href="classsc_1_1TwoBodyDerivIntCCA.html" alt="sc::TwoBodyDerivIntCCA" shape="rect" coords="0,168,155,192">
<area href="classsc_1_1TwoBodyDerivIntCints.html" alt="sc::TwoBodyDerivIntCints" shape="rect" coords="165,168,320,192">
<area href="classsc_1_1TwoBodyDerivIntV3.html" alt="sc::TwoBodyDerivIntV3" shape="rect" coords="330,168,485,192">
</map>
</div>

<p>
<a href="classsc_1_1TwoBodyDerivInt-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="0ed76c16282fdd7dfa3e8b1be6151e40"></a><!-- doxytag: member="sc::TwoBodyDerivInt::nbasis" ref="0ed76c16282fdd7dfa3e8b1be6151e40" args="() const " -->
int&nbsp;</td><td class="memItemRight" valign="bottom"><a class="el" href="classsc_1_1TwoBodyDerivInt.html#0ed76c16282fdd7dfa3e8b1be6151e40">nbasis</a> () const </td></tr>

<tr><td class="mdescLeft">&nbsp;</td><td class="mdescRight">Return the number of basis functions on center one. <br></td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="c0c2fffd7225f8d5e7b23035045025d8"></a><!-- doxytag: member="sc::TwoBodyDerivInt::nbasis1" ref="c0c2fffd7225f8d5e7b23035045025d8" args="() const " -->
int&nbsp;</td><td class="memItemRight" valign="bottom"><a class="el" href="classsc_1_1TwoBodyDerivInt.html#c0c2fffd7225f8d5e7b23035045025d8">nbasis1</a> () const </td></tr>

<tr><td class="mdescLeft">&nbsp;</td><td class="mdescRight">Return the number of basis functions on center one. <br></td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="b66f63d96604e1ee1217e4b47300951d"></a><!-- doxytag: member="sc::TwoBodyDerivInt::nbasis2" ref="b66f63d96604e1ee1217e4b47300951d" args="() const " -->
int&nbsp;</td><td class="memItemRight" valign="bottom"><a class="el" href="classsc_1_1TwoBodyDerivInt.html#b66f63d96604e1ee1217e4b47300951d">nbasis2</a> () const </td></tr>

<tr><td class="mdescLeft">&nbsp;</td><td class="mdescRight">Return the number of basis functions on center two. <br></td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="f019a4bc773ceaedd4743d4bd576a58d"></a><!-- doxytag: member="sc::TwoBodyDerivInt::nbasis3" ref="f019a4bc773ceaedd4743d4bd576a58d" args="() const " -->
int&nbsp;</td><td class="memItemRight" valign="bottom"><a class="el" href="classsc_1_1TwoBodyDerivInt.html#f019a4bc773ceaedd4743d4bd576a58d">nbasis3</a> () const </td></tr>

<tr><td class="mdescLeft">&nbsp;</td><td class="mdescRight">Return the number of basis functions on center three. <br></td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="330225f0cdf8cf0208cde33a266aaa22"></a><!-- doxytag: member="sc::TwoBodyDerivInt::nbasis4" ref="330225f0cdf8cf0208cde33a266aaa22" args="() const " -->
int&nbsp;</td><td class="memItemRight" valign="bottom"><a class="el" href="classsc_1_1TwoBodyDerivInt.html#330225f0cdf8cf0208cde33a266aaa22">nbasis4</a> () const </td></tr>

<tr><td class="mdescLeft">&nbsp;</td><td class="mdescRight">Return the number of basis functions on center four. <br></td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="f43a1cabbcb3de46aaa8eb7da484ccd8"></a><!-- doxytag: member="sc::TwoBodyDerivInt::nshell" ref="f43a1cabbcb3de46aaa8eb7da484ccd8" args="() const " -->
int&nbsp;</td><td class="memItemRight" valign="bottom"><a class="el" href="classsc_1_1TwoBodyDerivInt.html#f43a1cabbcb3de46aaa8eb7da484ccd8">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="9465df2189580076e7f9120be01548ae"></a><!-- doxytag: member="sc::TwoBodyDerivInt::nshell1" ref="9465df2189580076e7f9120be01548ae" args="() const " -->
int&nbsp;</td><td class="memItemRight" valign="bottom"><a class="el" href="classsc_1_1TwoBodyDerivInt.html#9465df2189580076e7f9120be01548ae">nshell1</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="dbb4b849973dacc3b6cb024674949096"></a><!-- doxytag: member="sc::TwoBodyDerivInt::nshell2" ref="dbb4b849973dacc3b6cb024674949096" args="() const " -->
int&nbsp;</td><td class="memItemRight" valign="bottom"><a class="el" href="classsc_1_1TwoBodyDerivInt.html#dbb4b849973dacc3b6cb024674949096">nshell2</a> () const </td></tr>

<tr><td class="mdescLeft">&nbsp;</td><td class="mdescRight">Return the number of shells on center two. <br></td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="acc237a5196d25959b2e9e8980b64f1f"></a><!-- doxytag: member="sc::TwoBodyDerivInt::nshell3" ref="acc237a5196d25959b2e9e8980b64f1f" args="() const " -->
int&nbsp;</td><td class="memItemRight" valign="bottom"><a class="el" href="classsc_1_1TwoBodyDerivInt.html#acc237a5196d25959b2e9e8980b64f1f">nshell3</a> () const </td></tr>

<tr><td class="mdescLeft">&nbsp;</td><td class="mdescRight">Return the number of shells on center three. <br></td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="d70f1c8b7107ea72165bfbb8424f5fdf"></a><!-- doxytag: member="sc::TwoBodyDerivInt::nshell4" ref="d70f1c8b7107ea72165bfbb8424f5fdf" args="() const " -->
int&nbsp;</td><td class="memItemRight" valign="bottom"><a class="el" href="classsc_1_1TwoBodyDerivInt.html#d70f1c8b7107ea72165bfbb8424f5fdf">nshell4</a> () const </td></tr>

<tr><td class="mdescLeft">&nbsp;</td><td class="mdescRight">Return the number of shells on center four. <br></td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="9032a38d8f8ba03bdf75abc489f5ea61"></a><!-- doxytag: member="sc::TwoBodyDerivInt::basis" ref="9032a38d8f8ba03bdf75abc489f5ea61" 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_1TwoBodyDerivInt.html#9032a38d8f8ba03bdf75abc489f5ea61">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="87727be78d8925ed2eeeaef6465a9a73"></a><!-- doxytag: member="sc::TwoBodyDerivInt::basis1" ref="87727be78d8925ed2eeeaef6465a9a73" 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_1TwoBodyDerivInt.html#87727be78d8925ed2eeeaef6465a9a73">basis1</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="55aba6643f8dc603f77b93408db0ba3e"></a><!-- doxytag: member="sc::TwoBodyDerivInt::basis2" ref="55aba6643f8dc603f77b93408db0ba3e" 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_1TwoBodyDerivInt.html#55aba6643f8dc603f77b93408db0ba3e">basis2</a> ()</td></tr>

<tr><td class="mdescLeft">&nbsp;</td><td class="mdescRight">Return the basis set on center two. <br></td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="67a3a21836cedaee1254467dbd5ba3eb"></a><!-- doxytag: member="sc::TwoBodyDerivInt::basis3" ref="67a3a21836cedaee1254467dbd5ba3eb" 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_1TwoBodyDerivInt.html#67a3a21836cedaee1254467dbd5ba3eb">basis3</a> ()</td></tr>

<tr><td class="mdescLeft">&nbsp;</td><td class="mdescRight">Return the basis set on center three. <br></td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="b7c41669f110131e0b95e997f2390217"></a><!-- doxytag: member="sc::TwoBodyDerivInt::basis4" ref="b7c41669f110131e0b95e997f2390217" 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_1TwoBodyDerivInt.html#b7c41669f110131e0b95e997f2390217">basis4</a> ()</td></tr>

<tr><td class="mdescLeft">&nbsp;</td><td class="mdescRight">Return the basis set on center four. <br></td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="89f92bf2e19a2948b4ac6b3506f95a49"></a><!-- doxytag: member="sc::TwoBodyDerivInt::buffer" ref="89f92bf2e19a2948b4ac6b3506f95a49" args="() const " -->
const double *&nbsp;</td><td class="memItemRight" valign="bottom"><a class="el" href="classsc_1_1TwoBodyDerivInt.html#89f92bf2e19a2948b4ac6b3506f95a49">buffer</a> () const </td></tr>

<tr><td class="mdescLeft">&nbsp;</td><td class="mdescRight">The computed shell integrals will be put in the buffer returned by this member. <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_1TwoBodyDerivInt.html#0f5b1826c54eba71c49e9a364c347810">compute_shell</a> (int, int, int, int, <a class="el" href="classsc_1_1DerivCenters.html">DerivCenters</a> &amp;)=0</td></tr>

<tr><td class="mdescLeft">&nbsp;</td><td class="mdescRight">Given for shell indices, this will cause the integral buffer to be filled in.  <a href="#0f5b1826c54eba71c49e9a364c347810"></a><br></td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top">virtual int&nbsp;</td><td class="memItemRight" valign="bottom"><a class="el" href="classsc_1_1TwoBodyDerivInt.html#39e09518413be5742edaf8532a536309">log2_shell_bound</a> (int=-1, int=-1, int=-1, int=-1)=0</td></tr>

<tr><td class="mdescLeft">&nbsp;</td><td class="mdescRight">Return log base 2 of the maximum magnitude of any integral in a shell block.  <a href="#39e09518413be5742edaf8532a536309"></a><br></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="7fb49b8a1fc32fd51e77525f25272bb2"></a><!-- doxytag: member="sc::TwoBodyDerivInt::TwoBodyDerivInt" ref="7fb49b8a1fc32fd51e77525f25272bb2" args="(Integral *integral, const Ref&lt; GaussianBasisSet &gt; &amp;b1, const Ref&lt; GaussianBasisSet &gt; &amp;b2, const Ref&lt; GaussianBasisSet &gt; &amp;b3, const Ref&lt; GaussianBasisSet &gt; &amp;b4)" -->
&nbsp;</td><td class="memItemRight" valign="bottom"><b>TwoBodyDerivInt</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, const <a class="el" href="classsc_1_1Ref.html">Ref</a>&lt; <a class="el" href="classsc_1_1GaussianBasisSet.html">GaussianBasisSet</a> &gt; &amp;b2, const <a class="el" href="classsc_1_1Ref.html">Ref</a>&lt; <a class="el" href="classsc_1_1GaussianBasisSet.html">GaussianBasisSet</a> &gt; &amp;b3, const <a class="el" href="classsc_1_1Ref.html">Ref</a>&lt; <a class="el" href="classsc_1_1GaussianBasisSet.html">GaussianBasisSet</a> &gt; &amp;b4)</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="9e5b8286bb3bb795ce92d7db35e66777"></a><!-- doxytag: member="sc::TwoBodyDerivInt::integral_" ref="9e5b8286bb3bb795ce92d7db35e66777" 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="57b6b88928d03e47ba3fd8b843534df6"></a><!-- doxytag: member="sc::TwoBodyDerivInt::bs1_" ref="57b6b88928d03e47ba3fd8b843534df6" 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="a40021759c1f513d9f65beb2c6e485e5"></a><!-- doxytag: member="sc::TwoBodyDerivInt::bs2_" ref="a40021759c1f513d9f65beb2c6e485e5" 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>bs2_</b></td></tr>

<tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="0b8675c9187ef0e306e566184c3a5d02"></a><!-- doxytag: member="sc::TwoBodyDerivInt::bs3_" ref="0b8675c9187ef0e306e566184c3a5d02" 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>bs3_</b></td></tr>

<tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="14d51f4d02948dd78e2272f5222369e0"></a><!-- doxytag: member="sc::TwoBodyDerivInt::bs4_" ref="14d51f4d02948dd78e2272f5222369e0" 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>bs4_</b></td></tr>

<tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="0f9f09a7bd9ec2ac22350885a27e7ebb"></a><!-- doxytag: member="sc::TwoBodyDerivInt::buffer_" ref="0f9f09a7bd9ec2ac22350885a27e7ebb" args="" -->
double *&nbsp;</td><td class="memItemRight" valign="bottom"><b>buffer_</b></td></tr>

</table>
<hr><a name="_details"></a><h2>Detailed Description</h2>
This is an abstract base type for classes that compute integrals involving two electrons. <hr><h2>Member Function Documentation</h2>
<a class="anchor" name="0f5b1826c54eba71c49e9a364c347810"></a><!-- doxytag: member="sc::TwoBodyDerivInt::compute_shell" ref="0f5b1826c54eba71c49e9a364c347810" args="(int, int, int, int, DerivCenters &amp;)=0" -->
<div class="memitem">
<div class="memproto">
      <table class="memname">
        <tr>
          <td class="memname">virtual void sc::TwoBodyDerivInt::compute_shell           </td>
          <td>(</td>
          <td class="paramtype">int&nbsp;</td>
          <td class="paramname">, </td>
        </tr>
        <tr>
          <td class="paramkey"></td>
          <td></td>
          <td class="paramtype">int&nbsp;</td>
          <td class="paramname">, </td>
        </tr>
        <tr>
          <td class="paramkey"></td>
          <td></td>
          <td class="paramtype">int&nbsp;</td>
          <td class="paramname">, </td>
        </tr>
        <tr>
          <td class="paramkey"></td>
          <td></td>
          <td class="paramtype">int&nbsp;</td>
          <td class="paramname">, </td>
        </tr>
        <tr>
          <td class="paramkey"></td>
          <td></td>
          <td class="paramtype"><a class="el" href="classsc_1_1DerivCenters.html">DerivCenters</a> &amp;&nbsp;</td>
          <td class="paramname"></td><td>&nbsp;</td>
        </tr>
        <tr>
          <td></td>
          <td>)</td>
          <td></td><td></td><td><code> [pure virtual]</code></td>
        </tr>
      </table>
</div>
<div class="memdoc">

<p>
Given for shell indices, this will cause the integral buffer to be filled in. 
<p>

<p>Implemented in <a class="el" href="classsc_1_1TwoBodyDerivIntCints.html#9e58f13dc9541e30e1cdb272221b27b2">sc::TwoBodyDerivIntCints</a>, <a class="el" href="classsc_1_1TwoBodyDerivIntCCA.html#7c4c89f72f08b10ddb41d22f8855b920">sc::TwoBodyDerivIntCCA</a>, and <a class="el" href="classsc_1_1TwoBodyDerivIntV3.html#071eeb5e48f14916c26d6617ec32539f">sc::TwoBodyDerivIntV3</a>.</p>

</div>
</div><p>
<a class="anchor" name="39e09518413be5742edaf8532a536309"></a><!-- doxytag: member="sc::TwoBodyDerivInt::log2_shell_bound" ref="39e09518413be5742edaf8532a536309" args="(int=&#45;1, int=&#45;1, int=&#45;1, int=&#45;1)=0" -->
<div class="memitem">
<div class="memproto">
      <table class="memname">
        <tr>
          <td class="memname">virtual int sc::TwoBodyDerivInt::log2_shell_bound           </td>
          <td>(</td>
          <td class="paramtype">int&nbsp;</td>
          <td class="paramname"> = <code>-1</code>, </td>
        </tr>
        <tr>
          <td class="paramkey"></td>
          <td></td>
          <td class="paramtype">int&nbsp;</td>
          <td class="paramname"> = <code>-1</code>, </td>
        </tr>
        <tr>
          <td class="paramkey"></td>
          <td></td>
          <td class="paramtype">int&nbsp;</td>
          <td class="paramname"> = <code>-1</code>, </td>
        </tr>
        <tr>
          <td class="paramkey"></td>
          <td></td>
          <td class="paramtype">int&nbsp;</td>
          <td class="paramname"> = <code>-1</code></td><td>&nbsp;</td>
        </tr>
        <tr>
          <td></td>
          <td>)</td>
          <td></td><td></td><td><code> [pure virtual]</code></td>
        </tr>
      </table>
</div>
<div class="memdoc">

<p>
Return log base 2 of the maximum magnitude of any integral in a shell block. 
<p>
An index of -1 for any argument indicates any shell. 
<p>Implemented in <a class="el" href="classsc_1_1TwoBodyDerivIntCints.html#29a94f981661b2f3c5c732fe3a4f4aed">sc::TwoBodyDerivIntCints</a>, <a class="el" href="classsc_1_1TwoBodyDerivIntCCA.html#779fc9c22dd91b42243a7f0d921614cc">sc::TwoBodyDerivIntCCA</a>, and <a class="el" href="classsc_1_1TwoBodyDerivIntV3.html#8c448da79a173e742ff1059c48615162">sc::TwoBodyDerivIntV3</a>.</p>

</div>
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<hr>The documentation for this class was generated from the following file:<ul>
<li><a class="el" href="tbint_8h_source.html">tbint.h</a></ul>
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Generated at Wed Oct 14 14:12:13 2009 for <a
href="http://www.mpqc.org">MPQC</a>
2.3.1 using the documentation package <a
href="http://www.doxygen.org">Doxygen</a>
1.5.9.

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