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<div class="navpath"><b>sc</b>::<a class="el" href="classsc_1_1LYPCFunctional.html">LYPCFunctional</a>
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<h1>sc::LYPCFunctional Class Reference</h1><!-- doxytag: class="sc::LYPCFunctional" --><!-- doxytag: inherits="sc::DenFunctional" -->Implements the Lee, Yang, and Parr functional.
<a href="#_details">More...</a>
<p>
<code>#include <<a class="el" href="functional_8h_source.html">functional.h</a>></code>
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Inheritance diagram for sc::LYPCFunctional:</div>
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<p><center><img src="classsc_1_1LYPCFunctional.png" usemap="#sc::LYPCFunctional_map" border="0" alt=""></center>
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<area href="classsc_1_1SavableState.html" alt="sc::SavableState" shape="rect" coords="0,168,123,192">
<area href="classsc_1_1DescribedClass.html" alt="sc::DescribedClass" shape="rect" coords="0,112,123,136">
<area href="classsc_1_1RefCount.html" alt="sc::RefCount" shape="rect" coords="0,56,123,80">
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<p>
<a href="classsc_1_1LYPCFunctional-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="22b2636b1b854bfc2b876372e9947d1a"></a><!-- doxytag: member="sc::LYPCFunctional::LYPCFunctional" ref="22b2636b1b854bfc2b876372e9947d1a" args="(const Ref< KeyVal > &)" -->
</td><td class="memItemRight" valign="bottom"><b>LYPCFunctional</b> (const <a class="el" href="classsc_1_1Ref.html">Ref</a>< <a class="el" href="classsc_1_1KeyVal.html">KeyVal</a> > &)</td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="8b77ceb4b2b8fb215f68633c3dab0010"></a><!-- doxytag: member="sc::LYPCFunctional::LYPCFunctional" ref="8b77ceb4b2b8fb215f68633c3dab0010" args="(StateIn &)" -->
</td><td class="memItemRight" valign="bottom"><b>LYPCFunctional</b> (<a class="el" href="classsc_1_1StateIn.html">StateIn</a> &)</td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top">void </td><td class="memItemRight" valign="bottom"><a class="el" href="classsc_1_1LYPCFunctional.html#d623114edcfeb17e9ab20029c70af756">save_data_state</a> (<a class="el" href="classsc_1_1StateOut.html">StateOut</a> &)</td></tr>
<tr><td class="mdescLeft"> </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="#d623114edcfeb17e9ab20029c70af756"></a><br></td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="7c46b5b21d93386bd9d4072616ae2c8d"></a><!-- doxytag: member="sc::LYPCFunctional::need_density_gradient" ref="7c46b5b21d93386bd9d4072616ae2c8d" args="()" -->
int </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="f35b853fb4ca7cd78892664802b0a221"></a><!-- doxytag: member="sc::LYPCFunctional::point" ref="f35b853fb4ca7cd78892664802b0a221" args="(const PointInputData &, PointOutputData &)" -->
void </td><td class="memItemRight" valign="bottom"><b>point</b> (const <a class="el" href="structsc_1_1PointInputData.html">PointInputData</a> &, <a class="el" href="structsc_1_1PointOutputData.html">PointOutputData</a> &)</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="df0a57c95946044cc57ac37abfd903d7"></a><!-- doxytag: member="sc::LYPCFunctional::init_constants" ref="df0a57c95946044cc57ac37abfd903d7" args="()" -->
void </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="850af5a492c14bbde259bf00d4cce688"></a><!-- doxytag: member="sc::LYPCFunctional::a_" ref="850af5a492c14bbde259bf00d4cce688" args="" -->
double </td><td class="memItemRight" valign="bottom"><b>a_</b></td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="380a6e5b3d88a7729b25b0f6b7ecec8f"></a><!-- doxytag: member="sc::LYPCFunctional::b_" ref="380a6e5b3d88a7729b25b0f6b7ecec8f" args="" -->
double </td><td class="memItemRight" valign="bottom"><b>b_</b></td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="56056d85e052a04cb7cd6067ff17aab0"></a><!-- doxytag: member="sc::LYPCFunctional::c_" ref="56056d85e052a04cb7cd6067ff17aab0" args="" -->
double </td><td class="memItemRight" valign="bottom"><b>c_</b></td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="8354eb44c24a2d6903d4c0146fffc582"></a><!-- doxytag: member="sc::LYPCFunctional::d_" ref="8354eb44c24a2d6903d4c0146fffc582" args="" -->
double </td><td class="memItemRight" valign="bottom"><b>d_</b></td></tr>
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<hr><a name="_details"></a><h2>Detailed Description</h2>
Implements the Lee, Yang, and Parr functional.
<p>
B. Miehlich, A. Savin, H. Stoll and H. Preuss, Chem. Phys. Lett., 157(3), pp. 200-206, 1989.<p>
C. Lee, W. Yang, and R. G. Parr, Phys. Rev. B, 37(2), pp 785-789, 1988. <hr><h2>Member Function Documentation</h2>
<a class="anchor" name="d623114edcfeb17e9ab20029c70af756"></a><!-- doxytag: member="sc::LYPCFunctional::save_data_state" ref="d623114edcfeb17e9ab20029c70af756" args="(StateOut &)" -->
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<td class="memname">void sc::LYPCFunctional::save_data_state </td>
<td>(</td>
<td class="paramtype"><a class="el" href="classsc_1_1StateOut.html">StateOut</a> & </td>
<td class="paramname"> </td>
<td> ) </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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