<!DOCTYPE HTML PUBLIC "-//W3C//DTD HTML 4.01 Transitional//EN"> <html><head><meta http-equiv="Content-Type" content="text/html;charset=UTF-8"> <title>MPQC: sc::SelfConsistentExtrapolation Class Reference</title> <link href="tabs.css" rel="stylesheet" type="text/css"> <link href="doxygen.css" rel="stylesheet" type="text/css"> </head><body> <!-- Generated by Doxygen 1.5.9 --> <div class="navigation" id="top"> <div class="tabs"> <ul> <li><a href="index.html"><span>Main Page</span></a></li> <li><a href="pages.html"><span>Related Pages</span></a></li> <li class="current"><a href="annotated.html"><span>Classes</span></a></li> <li><a href="files.html"><span>Files</span></a></li> </ul> </div> <div class="tabs"> <ul> <li><a href="annotated.html"><span>Class List</span></a></li> <li><a href="hierarchy.html"><span>Class Hierarchy</span></a></li> <li><a href="functions.html"><span>Class Members</span></a></li> </ul> </div> <div class="navpath"><b>sc</b>::<a class="el" href="classsc_1_1SelfConsistentExtrapolation.html">SelfConsistentExtrapolation</a> </div> </div> <div class="contents"> <h1>sc::SelfConsistentExtrapolation Class Reference</h1><!-- doxytag: class="sc::SelfConsistentExtrapolation" --><!-- doxytag: inherits="sc::SavableState" -->The <a class="el" href="classsc_1_1SelfConsistentExtrapolation.html" title="The SelfConsistentExtrapolation abstract class is used to iteratively solve equations...">SelfConsistentExtrapolation</a> abstract class is used to iteratively solve equations requiring a self consistent solution, such as,. <a href="#_details">More...</a> <p> <code>#include <<a class="el" href="scextrap_8h_source.html">scextrap.h</a>></code> <p> <div class="dynheader"> Inheritance diagram for sc::SelfConsistentExtrapolation:</div> <div class="dynsection"> <p><center><img src="classsc_1_1SelfConsistentExtrapolation.png" usemap="#sc::SelfConsistentExtrapolation_map" border="0" alt=""></center> <map name="sc::SelfConsistentExtrapolation_map"> <area href="classsc_1_1SavableState.html" alt="sc::SavableState" shape="rect" coords="0,168,184,192"> <area href="classsc_1_1DescribedClass.html" alt="sc::DescribedClass" shape="rect" coords="0,112,184,136"> <area href="classsc_1_1RefCount.html" alt="sc::RefCount" shape="rect" coords="0,56,184,80"> <area href="classsc_1_1Identity.html" alt="sc::Identity" shape="rect" coords="0,0,184,24"> <area href="classsc_1_1DIIS.html" alt="sc::DIIS" shape="rect" coords="0,280,184,304"> </map> </div> <p> <a href="classsc_1_1SelfConsistentExtrapolation-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="271bbde4d156dd0a83665c1506305768"></a><!-- doxytag: member="sc::SelfConsistentExtrapolation::SelfConsistentExtrapolation" ref="271bbde4d156dd0a83665c1506305768" args="(StateIn &)" --> </td><td class="memItemRight" valign="bottom"><b>SelfConsistentExtrapolation</b> (<a class="el" href="classsc_1_1StateIn.html">StateIn</a> &)</td></tr> <tr><td class="memItemLeft" nowrap align="right" valign="top"> </td><td class="memItemRight" valign="bottom"><a class="el" href="classsc_1_1SelfConsistentExtrapolation.html#fa3fe91bf59ece54c33cb73f2a4999f5">SelfConsistentExtrapolation</a> (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="mdescLeft"> </td><td class="mdescRight">The only keyword read is tolerance#, which is usually not needed since the objects using <a class="el" href="classsc_1_1SelfConsistentExtrapolation.html" title="The SelfConsistentExtrapolation abstract class is used to iteratively solve equations...">SelfConsistentExtrapolation</a> should set the tolerances as needed. <a href="#fa3fe91bf59ece54c33cb73f2a4999f5"></a><br></td></tr> <tr><td class="memItemLeft" nowrap align="right" valign="top">void </td><td class="memItemRight" valign="bottom"><a class="el" href="classsc_1_1SelfConsistentExtrapolation.html#334c6147eedebaecc414c3656d963d18">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="#334c6147eedebaecc414c3656d963d18"></a><br></td></tr> <tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="9b3952cb2df3b426e2c2e674914cee64"></a><!-- doxytag: member="sc::SelfConsistentExtrapolation::set_tolerance" ref="9b3952cb2df3b426e2c2e674914cee64" args="(double t)" --> void </td><td class="memItemRight" valign="bottom"><b>set_tolerance</b> (double t)</td></tr> <tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="5818b2ae8085f8c642dcc1e95fd408de"></a><!-- doxytag: member="sc::SelfConsistentExtrapolation::tolerance" ref="5818b2ae8085f8c642dcc1e95fd408de" args="()" --> double </td><td class="memItemRight" valign="bottom"><b>tolerance</b> ()</td></tr> <tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="5e19070467ed02e88ddbc9c09a3afb41"></a><!-- doxytag: member="sc::SelfConsistentExtrapolation::error" ref="5e19070467ed02e88ddbc9c09a3afb41" args="()" --> double </td><td class="memItemRight" valign="bottom"><b>error</b> ()</td></tr> <tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="1b9de1b164f97a2ad5285ad486204298"></a><!-- doxytag: member="sc::SelfConsistentExtrapolation::converged" ref="1b9de1b164f97a2ad5285ad486204298" args="()" --> int </td><td class="memItemRight" valign="bottom"><b>converged</b> ()</td></tr> <tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="f0ec64f801c98e7f7d41bb62787a58f1"></a><!-- doxytag: member="sc::SelfConsistentExtrapolation::extrapolate" ref="f0ec64f801c98e7f7d41bb62787a58f1" args="(const Ref< SCExtrapData > &data, const Ref< SCExtrapError > &error)=0" --> virtual int </td><td class="memItemRight" valign="bottom"><b>extrapolate</b> (const <a class="el" href="classsc_1_1Ref.html">Ref</a>< <a class="el" href="classsc_1_1SCExtrapData.html">SCExtrapData</a> > &data, const <a class="el" href="classsc_1_1Ref.html">Ref</a>< <a class="el" href="classsc_1_1SCExtrapError.html">SCExtrapError</a> > &error)=0</td></tr> <tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="da7e5f40b59f4c68ccfb060c088fdbb0"></a><!-- doxytag: member="sc::SelfConsistentExtrapolation::start_extrapolation" ref="da7e5f40b59f4c68ccfb060c088fdbb0" args="()" --> virtual void </td><td class="memItemRight" valign="bottom"><b>start_extrapolation</b> ()</td></tr> <tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="2758897b7b18b049fbe3fedfea86fa59"></a><!-- doxytag: member="sc::SelfConsistentExtrapolation::reinitialize" ref="2758897b7b18b049fbe3fedfea86fa59" args="()=0" --> virtual void </td><td class="memItemRight" valign="bottom"><b>reinitialize</b> ()=0</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="ac5cdc41b3c1ff7a98ca100db047c453"></a><!-- doxytag: member="sc::SelfConsistentExtrapolation::set_error" ref="ac5cdc41b3c1ff7a98ca100db047c453" args="(double e)" --> void </td><td class="memItemRight" valign="bottom"><b>set_error</b> (double e)</td></tr> </table> <hr><a name="_details"></a><h2>Detailed Description</h2> The <a class="el" href="classsc_1_1SelfConsistentExtrapolation.html" title="The SelfConsistentExtrapolation abstract class is used to iteratively solve equations...">SelfConsistentExtrapolation</a> abstract class is used to iteratively solve equations requiring a self consistent solution, such as,. <p> <p class="formulaDsp"> <img class="formulaDsp" alt="\[ \bar{x}' = f(\bar{x}) \]" src="form_62.png"> <p> <hr><h2>Constructor & Destructor Documentation</h2> <a class="anchor" name="fa3fe91bf59ece54c33cb73f2a4999f5"></a><!-- doxytag: member="sc::SelfConsistentExtrapolation::SelfConsistentExtrapolation" ref="fa3fe91bf59ece54c33cb73f2a4999f5" args="(const Ref< KeyVal > &)" --> <div class="memitem"> <div class="memproto"> <table class="memname"> <tr> <td class="memname">sc::SelfConsistentExtrapolation::SelfConsistentExtrapolation </td> <td>(</td> <td class="paramtype">const <a class="el" href="classsc_1_1Ref.html">Ref</a>< <a class="el" href="classsc_1_1KeyVal.html">KeyVal</a> > & </td> <td class="paramname"> </td> <td> ) </td> <td></td> </tr> </table> </div> <div class="memdoc"> <p> The only keyword read is tolerance#, which is usually not needed since the objects using <a class="el" href="classsc_1_1SelfConsistentExtrapolation.html" title="The SelfConsistentExtrapolation abstract class is used to iteratively solve equations...">SelfConsistentExtrapolation</a> should set the tolerances as needed. <p> </div> </div><p> <hr><h2>Member Function Documentation</h2> <a class="anchor" name="334c6147eedebaecc414c3656d963d18"></a><!-- doxytag: member="sc::SelfConsistentExtrapolation::save_data_state" ref="334c6147eedebaecc414c3656d963d18" args="(StateOut &)" --> <div class="memitem"> <div class="memproto"> <table class="memname"> <tr> <td class="memname">void sc::SelfConsistentExtrapolation::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> </tr> </table> </div> <div class="memdoc"> <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_1SavableState.html#f9e0c212322d3c0f43e2dcb33e111acf">sc::SavableState</a>.</p> <p>Reimplemented in <a class="el" href="classsc_1_1DIIS.html#0339bd6212541ac5c1160b2cb823b84f">sc::DIIS</a>.</p> </div> </div><p> <hr>The documentation for this class was generated from the following file:<ul> <li><a class="el" href="scextrap_8h_source.html">scextrap.h</a></ul> </div> <hr> <address> <small> Generated at Wed Oct 14 14:12:15 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. </small> </address> </body> </html>