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<title>MPQC: sc::G96XFunctional Class Reference</title>
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  <div class="navpath"><b>sc</b>::<a class="el" href="classsc_1_1G96XFunctional.html">G96XFunctional</a>
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<h1>sc::G96XFunctional Class Reference</h1><!-- doxytag: class="sc::G96XFunctional" --><!-- doxytag: inherits="sc::DenFunctional" -->Implements the Gill 1996 (G96) exchange functional.  
<a href="#_details">More...</a>
<p>
<code>#include &lt;<a class="el" href="functional_8h_source.html">functional.h</a>&gt;</code>
<p>
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Inheritance diagram for sc::G96XFunctional:</div>
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<p><center><img src="classsc_1_1G96XFunctional.png" usemap="#sc::G96XFunctional_map" border="0" alt=""></center>
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<area href="classsc_1_1DenFunctional.html" alt="sc::DenFunctional" shape="rect" coords="0,224,122,248">
<area href="classsc_1_1SavableState.html" alt="sc::SavableState" shape="rect" coords="0,168,122,192">
<area href="classsc_1_1DescribedClass.html" alt="sc::DescribedClass" shape="rect" coords="0,112,122,136">
<area href="classsc_1_1RefCount.html" alt="sc::RefCount" shape="rect" coords="0,56,122,80">
<area href="classsc_1_1Identity.html" alt="sc::Identity" shape="rect" coords="0,0,122,24">
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<p>
<a href="classsc_1_1G96XFunctional-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="4324f7052c7cf3195043c8933d65d37d"></a><!-- doxytag: member="sc::G96XFunctional::G96XFunctional" ref="4324f7052c7cf3195043c8933d65d37d" args="(const Ref&lt; KeyVal &gt; &amp;)" -->
&nbsp;</td><td class="memItemRight" valign="bottom"><b>G96XFunctional</b> (const <a class="el" href="classsc_1_1Ref.html">Ref</a>&lt; <a class="el" href="classsc_1_1KeyVal.html">KeyVal</a> &gt; &amp;)</td></tr>

<tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="23ce2d312493192f71f5d3c6d5d61ad4"></a><!-- doxytag: member="sc::G96XFunctional::G96XFunctional" ref="23ce2d312493192f71f5d3c6d5d61ad4" args="(StateIn &amp;)" -->
&nbsp;</td><td class="memItemRight" valign="bottom"><b>G96XFunctional</b> (<a class="el" href="classsc_1_1StateIn.html">StateIn</a> &amp;)</td></tr>

<tr><td class="memItemLeft" nowrap align="right" valign="top">void&nbsp;</td><td class="memItemRight" valign="bottom"><a class="el" href="classsc_1_1G96XFunctional.html#d9026ed66adb100d933a74bce54ada1f">save_data_state</a> (<a class="el" href="classsc_1_1StateOut.html">StateOut</a> &amp;)</td></tr>

<tr><td class="mdescLeft">&nbsp;</td><td class="mdescRight">Save the base classes (with save_data_state) and the members in the same order that the <a class="el" href="classsc_1_1StateIn.html" title="Restores objects that derive from SavableState.">StateIn</a> CTOR initializes them.  <a href="#d9026ed66adb100d933a74bce54ada1f"></a><br></td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="225b462da4d3eb155c206ed3b596f621"></a><!-- doxytag: member="sc::G96XFunctional::need_density_gradient" ref="225b462da4d3eb155c206ed3b596f621" args="()" -->
int&nbsp;</td><td class="memItemRight" valign="bottom"><b>need_density_gradient</b> ()</td></tr>

<tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="f1fd6a2a863620434babffea72825966"></a><!-- doxytag: member="sc::G96XFunctional::point" ref="f1fd6a2a863620434babffea72825966" args="(const PointInputData &amp;, PointOutputData &amp;)" -->
void&nbsp;</td><td class="memItemRight" valign="bottom"><b>point</b> (const <a class="el" href="structsc_1_1PointInputData.html">PointInputData</a> &amp;, <a class="el" href="structsc_1_1PointOutputData.html">PointOutputData</a> &amp;)</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="e2d65b5b4373e7b934a0a096b1bc9eef"></a><!-- doxytag: member="sc::G96XFunctional::init_constants" ref="e2d65b5b4373e7b934a0a096b1bc9eef" args="()" -->
void&nbsp;</td><td class="memItemRight" valign="bottom"><b>init_constants</b> ()</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="2cca970da1699051ca8359d3d9724f20"></a><!-- doxytag: member="sc::G96XFunctional::b_" ref="2cca970da1699051ca8359d3d9724f20" args="" -->
double&nbsp;</td><td class="memItemRight" valign="bottom"><b>b_</b></td></tr>

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<hr><a name="_details"></a><h2>Detailed Description</h2>
Implements the Gill 1996 (G96) exchange functional. 
<p>
P. M. W. Gill, Mol. Phys., 89(2), pp. 433-445, 1996. <hr><h2>Member Function Documentation</h2>
<a class="anchor" name="d9026ed66adb100d933a74bce54ada1f"></a><!-- doxytag: member="sc::G96XFunctional::save_data_state" ref="d9026ed66adb100d933a74bce54ada1f" args="(StateOut &amp;)" -->
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          <td class="memname">void sc::G96XFunctional::save_data_state           </td>
          <td>(</td>
          <td class="paramtype"><a class="el" href="classsc_1_1StateOut.html">StateOut</a> &amp;&nbsp;</td>
          <td class="paramname">          </td>
          <td>&nbsp;)&nbsp;</td>
          <td><code> [virtual]</code></td>
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<p>
Save the base classes (with save_data_state) and the members in the same order that the <a class="el" href="classsc_1_1StateIn.html" title="Restores objects that derive from SavableState.">StateIn</a> CTOR initializes them. 
<p>
This must be implemented by the derived class if the class has data. 
<p>Reimplemented from <a class="el" href="classsc_1_1DenFunctional.html#d4eedef269673357cfe99e6267a235da">sc::DenFunctional</a>.</p>

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<hr>The documentation for this class was generated from the following file:<ul>
<li><a class="el" href="functional_8h_source.html">functional.h</a></ul>
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