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  <div class="navpath"><b>sc</b>::<a class="el" href="classsc_1_1PsiCCSD__T.html">PsiCCSD_T</a>
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<h1>sc::PsiCCSD_T Class Reference</h1><!-- doxytag: class="sc::PsiCCSD_T" --><!-- doxytag: inherits="sc::PsiWavefunction" --><a class="el" href="classsc_1_1PsiCCSD__T.html" title="PsiCCSD_T is a concrete implementation of Psi CCSD(T) wave function.">PsiCCSD_T</a> is a concrete implementation of Psi CCSD(T) wave function.  
<a href="#_details">More...</a>
<p>
<code>#include &lt;<a class="el" href="psiwfn_8h_source.html">psiwfn.h</a>&gt;</code>
<p>
<div class="dynheader">
Inheritance diagram for sc::PsiCCSD_T:</div>
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<p><center><img src="classsc_1_1PsiCCSD__T.png" usemap="#sc::PsiCCSD_T_map" border="0" alt=""></center>
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<area href="classsc_1_1MolecularEnergy.html" alt="sc::MolecularEnergy" shape="rect" coords="69,280,198,304">
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<p>
<a href="classsc_1_1PsiCCSD__T-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="a24aa7c1e5f7f2b3ae35855ca84a3977"></a><!-- doxytag: member="sc::PsiCCSD_T::PsiCCSD_T" ref="a24aa7c1e5f7f2b3ae35855ca84a3977" args="(const Ref&lt; KeyVal &gt; &amp;)" -->
&nbsp;</td><td class="memItemRight" valign="bottom"><b>PsiCCSD_T</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="1526173bf0318cf4196da1db8ec291bb"></a><!-- doxytag: member="sc::PsiCCSD_T::PsiCCSD_T" ref="1526173bf0318cf4196da1db8ec291bb" args="(StateIn &amp;)" -->
&nbsp;</td><td class="memItemRight" valign="bottom"><b>PsiCCSD_T</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_1PsiCCSD__T.html#ffa8549a4672a9039b43b0ab7854ae2c">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="#ffa8549a4672a9039b43b0ab7854ae2c"></a><br></td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="75454ad71e2611d4d4b816763631e8ca"></a><!-- doxytag: member="sc::PsiCCSD_T::spin_polarized" ref="75454ad71e2611d4d4b816763631e8ca" args="()" -->
int&nbsp;</td><td class="memItemRight" valign="bottom"><a class="el" href="classsc_1_1PsiCCSD__T.html#75454ad71e2611d4d4b816763631e8ca">spin_polarized</a> ()</td></tr>

<tr><td class="mdescLeft">&nbsp;</td><td class="mdescRight">Return 1 if the alpha density is not equal to the beta density. <br></td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="63151923a830d5d3ce462c8228f565bf"></a><!-- doxytag: member="sc::PsiCCSD_T::gradient_implemented" ref="63151923a830d5d3ce462c8228f565bf" args="() const " -->
int&nbsp;</td><td class="memItemRight" valign="bottom"><b>gradient_implemented</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="56f49af455c209799b3c584c76d4be4d"></a><!-- doxytag: member="sc::PsiCCSD_T::write_input" ref="56f49af455c209799b3c584c76d4be4d" args="(int conv)" -->
void&nbsp;</td><td class="memItemRight" valign="bottom"><a class="el" href="classsc_1_1PsiCCSD__T.html#56f49af455c209799b3c584c76d4be4d">write_input</a> (int conv)</td></tr>

<tr><td class="mdescLeft">&nbsp;</td><td class="mdescRight">Prepares a complete Psi input file. The input file is assumed to have been opened. <br></td></tr>
</table>
<hr><a name="_details"></a><h2>Detailed Description</h2>
<a class="el" href="classsc_1_1PsiCCSD__T.html" title="PsiCCSD_T is a concrete implementation of Psi CCSD(T) wave function.">PsiCCSD_T</a> is a concrete implementation of Psi CCSD(T) wave function. <hr><h2>Member Function Documentation</h2>
<a class="anchor" name="ffa8549a4672a9039b43b0ab7854ae2c"></a><!-- doxytag: member="sc::PsiCCSD_T::save_data_state" ref="ffa8549a4672a9039b43b0ab7854ae2c" args="(StateOut &amp;)" -->
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          <td class="memname">void sc::PsiCCSD_T::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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      </table>
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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_1PsiWavefunction.html#9e8da0f3984a021692b31c92e3973efc">sc::PsiWavefunction</a>.</p>

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<hr>The documentation for this class was generated from the following file:<ul>
<li><a class="el" href="psiwfn_8h_source.html">psiwfn.h</a></ul>
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