<!DOCTYPE HTML PUBLIC "-//W3C//DTD HTML 4.0 Transitional//EN">
<html><head><meta name="robots" content="noindex">
<meta http-equiv="Content-Type" content="text/html;charset=iso-8859-1">
<title>update.h Source File</title>
<link href="doxygen.css" rel="stylesheet" type="text/css">
</head><body bgcolor="#ffffff">
<!-- Generated by Doxygen 1.2.5 on Mon Oct 14 14:16:39 2002 -->
<center>
<a class="qindex" href="index.html">Main Page</a> <a class="qindex" href="hierarchy.html">Class Hierarchy</a> <a class="qindex" href="annotated.html">Compound List</a> <a class="qindex" href="files.html">File List</a> <a class="qindex" href="functions.html">Compound Members</a> <a class="qindex" href="pages.html">Related Pages</a> </center>
<hr><h1>update.h</h1><div class="fragment"><pre>00001 <font class="comment">//</font>
00002 <font class="comment">// update.h</font>
00003 <font class="comment">//</font>
00004 <font class="comment">// Copyright (C) 1996 Limit Point Systems, Inc.</font>
00005 <font class="comment">//</font>
00006 <font class="comment">// Author: Curtis Janssen <cljanss@limitpt.com></font>
00007 <font class="comment">// Maintainer: LPS</font>
00008 <font class="comment">//</font>
00009 <font class="comment">// This file is part of the SC Toolkit.</font>
00010 <font class="comment">//</font>
00011 <font class="comment">// The SC Toolkit is free software; you can redistribute it and/or modify</font>
00012 <font class="comment">// it under the terms of the GNU Library General Public License as published by</font>
00013 <font class="comment">// the Free Software Foundation; either version 2, or (at your option)</font>
00014 <font class="comment">// any later version.</font>
00015 <font class="comment">//</font>
00016 <font class="comment">// The SC Toolkit is distributed in the hope that it will be useful,</font>
00017 <font class="comment">// but WITHOUT ANY WARRANTY; without even the implied warranty of</font>
00018 <font class="comment">// MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the</font>
00019 <font class="comment">// GNU Library General Public License for more details.</font>
00020 <font class="comment">//</font>
00021 <font class="comment">// You should have received a copy of the GNU Library General Public License</font>
00022 <font class="comment">// along with the SC Toolkit; see the file COPYING.LIB. If not, write to</font>
00023 <font class="comment">// the Free Software Foundation, 675 Mass Ave, Cambridge, MA 02139, USA.</font>
00024 <font class="comment">//</font>
00025 <font class="comment">// The U.S. Government is granted a limited license as per AL 91-7.</font>
00026 <font class="comment">//</font>
00027
00028 <font class="preprocessor">#ifndef _math_optimize_update_h</font>
00029 <font class="preprocessor"></font><font class="preprocessor">#define _math_optimize_update_h</font>
00030 <font class="preprocessor"></font>
00031 <font class="preprocessor">#ifdef __GNUC__</font>
00032 <font class="preprocessor"></font><font class="preprocessor">#pragma interface</font>
00033 <font class="preprocessor"></font><font class="preprocessor">#endif</font>
00034 <font class="preprocessor"></font>
00035 <font class="preprocessor">#include <util/state/state.h></font>
00036 <font class="preprocessor">#include <util/class/class.h></font>
00037 <font class="preprocessor">#include <math/scmat/matrix.h></font>
00038 <font class="preprocessor">#include <math/optimize/function.h></font>
00039 <font class="preprocessor">#include <math/optimize/transform.h></font>
00040
00041 <font class="keyword">namespace </font>sc {
00042
00043 <font class="comment">// //////////////////////////////////////////////////////////////////////</font>
00044 <font class="comment">// hessian update classes. based on the value of inverse_hessian_</font>
00045 <font class="comment">// x and g may be reversed (see Schlegel, ab initio Methods in Quantum</font>
00046 <font class="comment">// Chemistry I, 1987, p 10</font>
00047
00048
<a name="l00054"></a><a class="code" href="class_sc__HessianUpdate.html">00054</a> <font class="keyword">class </font>HessianUpdate: <font class="keyword">virtual</font> <font class="keyword">public</font> SavableState {
00055 <font class="keyword">protected</font>:
00056 <font class="keywordtype">int</font> inverse_hessian_;
00057 <font class="keyword">public</font>:
00058 HessianUpdate();
00059 HessianUpdate(StateIn&);
00060 HessianUpdate(<font class="keyword">const</font> Ref<KeyVal>&);
00061 <font class="keywordtype">void</font> <a class="code" href="class_sc__HessianUpdate.html#a3">save_data_state</a>(StateOut&);
00062 <font class="keyword">virtual</font> ~HessianUpdate();
00063 <font class="keyword">virtual</font> <font class="keywordtype">void</font> update(<font class="keyword">const</font> RefSymmSCMatrix&hessian,<font class="keyword">const</font> Ref<Function>&,
00064 <font class="keyword">const</font> RefSCVector&xnew,<font class="keyword">const</font> RefSCVector&gnew) = 0;
00065 <font class="keyword">virtual</font> <font class="keywordtype">void</font> set_inverse();
00066 <font class="keyword">virtual</font> <font class="keywordtype">void</font> apply_transform(<font class="keyword">const</font> Ref<NonlinearTransform>&);
00067 };
00068
00069
<a name="l00072"></a><a class="code" href="class_sc__DFPUpdate.html">00072</a> <font class="keyword">class </font>DFPUpdate: <font class="keyword">public</font> HessianUpdate {
00073 <font class="keyword">protected</font>:
00074 RefSCVector xprev;
00075 RefSCVector gprev;
00076 <font class="keyword">public</font>:
00077 <a class="code" href="class_sc__DFPUpdate.html#a2">DFPUpdate</a>();
00078 <a class="code" href="class_sc__DFPUpdate.html#a2">DFPUpdate</a>(StateIn&);
00092 <a class="code" href="class_sc__DFPUpdate.html#a2">DFPUpdate</a>(<font class="keyword">const</font> Ref<KeyVal>&);
00093 <font class="keywordtype">void</font> <a class="code" href="class_sc__DFPUpdate.html#a3">save_data_state</a>(StateOut&);
00094 ~DFPUpdate();
00095 <font class="keywordtype">void</font> update(<font class="keyword">const</font> RefSymmSCMatrix&ihessian,<font class="keyword">const</font> Ref<Function>&,
00096 <font class="keyword">const</font> RefSCVector&xnew,<font class="keyword">const</font> RefSCVector&gnew);
00097 <font class="keywordtype">void</font> apply_transform(<font class="keyword">const</font> Ref<NonlinearTransform>&);
00098 <font class="keywordtype">void</font> set_inverse();
00099 };
00100
<a name="l00104"></a><a class="code" href="class_sc__BFGSUpdate.html">00104</a> <font class="keyword">class </font>BFGSUpdate: <font class="keyword">public</font> DFPUpdate {
00105 <font class="keyword">public</font>:
00106 BFGSUpdate();
00107 BFGSUpdate(StateIn&);
00108 BFGSUpdate(<font class="keyword">const</font> Ref<KeyVal>&);
00109 <font class="keywordtype">void</font> <a class="code" href="class_sc__BFGSUpdate.html#a3">save_data_state</a>(StateOut&);
00110 ~BFGSUpdate();
00111 <font class="keywordtype">void</font> update(<font class="keyword">const</font> RefSymmSCMatrix&ihessian,<font class="keyword">const</font> Ref<Function>&,
00112 <font class="keyword">const</font> RefSCVector&xnew,<font class="keyword">const</font> RefSCVector&gnew);
00113 };
00114
<a name="l00119"></a><a class="code" href="class_sc__PowellUpdate.html">00119</a> <font class="keyword">class </font>PowellUpdate: <font class="keyword">public</font> HessianUpdate {
00120 <font class="keyword">protected</font>:
00121 RefSCVector xprev;
00122 RefSCVector gprev;
00123 <font class="keyword">public</font>:
00124 PowellUpdate();
00125 PowellUpdate(StateIn&);
00126 PowellUpdate(<font class="keyword">const</font> Ref<KeyVal>&);
00127 <font class="keywordtype">void</font> <a class="code" href="class_sc__PowellUpdate.html#a3">save_data_state</a>(StateOut&);
00128 ~PowellUpdate();
00129 <font class="keywordtype">void</font> update(<font class="keyword">const</font> RefSymmSCMatrix&ihessian,<font class="keyword">const</font> Ref<Function>&func,
00130 <font class="keyword">const</font> RefSCVector&xnew,<font class="keyword">const</font> RefSCVector&gnew);
00131 <font class="keywordtype">void</font> apply_transform(<font class="keyword">const</font> Ref<NonlinearTransform>&);
00132 };
00133
00134 }
00135
00136 <font class="preprocessor">#endif</font>
00137 <font class="preprocessor"></font>
00138 <font class="comment">// Local Variables:</font>
00139 <font class="comment">// mode: c++</font>
00140 <font class="comment">// c-file-style: "CLJ"</font>
00141 <font class="comment">// End:</font>
</div></pre><hr>
<address>
<small>
Generated at Mon Oct 14 14:16:39 2002 for <a
href="http://aros.ca.sandia.gov/~cljanss/mpqc">MPQC</a>
2.1.2 using the documentation package <a
href="http://www.stack.nl/~dimitri/doxygen/index.html">Doxygen</a>
1.2.5.
</small>
</address>
</body>
</html>
distrib
>
Mandriva
>
9.1
>
ppc
>
media
>
contrib
>
by-pkgid
>
263386785cefb9ae5d63b926d214d809
>
files
>
1395
