<!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: moindexspace.h Source File</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><a href="annotated.html"><span>Classes</span></a></li> <li class="current"><a href="files.html"><span>Files</span></a></li> </ul> </div> <div class="tabs"> <ul> <li><a href="files.html"><span>File List</span></a></li> </ul> </div> <h1>moindexspace.h</h1><div class="fragment"><pre class="fragment"><a name="l00001"></a>00001 <span class="comment">//</span> <a name="l00002"></a>00002 <span class="comment">// moindexspace.h</span> <a name="l00003"></a>00003 <span class="comment">//</span> <a name="l00004"></a>00004 <span class="comment">// Copyright (C) 2004 Edward Valeev</span> <a name="l00005"></a>00005 <span class="comment">//</span> <a name="l00006"></a>00006 <span class="comment">// Author: Edward Valeev <edward.valeev@chemistry.gatech.edu></span> <a name="l00007"></a>00007 <span class="comment">// Maintainer: EV</span> <a name="l00008"></a>00008 <span class="comment">//</span> <a name="l00009"></a>00009 <span class="comment">// This file is part of the SC Toolkit.</span> <a name="l00010"></a>00010 <span class="comment">//</span> <a name="l00011"></a>00011 <span class="comment">// The SC Toolkit is free software; you can redistribute it and/or modify</span> <a name="l00012"></a>00012 <span class="comment">// it under the terms of the GNU Library General Public License as published by</span> <a name="l00013"></a>00013 <span class="comment">// the Free Software Foundation; either version 2, or (at your option)</span> <a name="l00014"></a>00014 <span class="comment">// any later version.</span> <a name="l00015"></a>00015 <span class="comment">//</span> <a name="l00016"></a>00016 <span class="comment">// The SC Toolkit is distributed in the hope that it will be useful,</span> <a name="l00017"></a>00017 <span class="comment">// but WITHOUT ANY WARRANTY; without even the implied warranty of</span> <a name="l00018"></a>00018 <span class="comment">// MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the</span> <a name="l00019"></a>00019 <span class="comment">// GNU Library General Public License for more details.</span> <a name="l00020"></a>00020 <span class="comment">//</span> <a name="l00021"></a>00021 <span class="comment">// You should have received a copy of the GNU Library General Public License</span> <a name="l00022"></a>00022 <span class="comment">// along with the SC Toolkit; see the file COPYING.LIB. If not, write to</span> <a name="l00023"></a>00023 <span class="comment">// the Free Software Foundation, 675 Mass Ave, Cambridge, MA 02139, USA.</span> <a name="l00024"></a>00024 <span class="comment">//</span> <a name="l00025"></a>00025 <span class="comment">// The U.S. Government is granted a limited license as per AL 91-7.</span> <a name="l00026"></a>00026 <span class="comment">//</span> <a name="l00027"></a>00027 <a name="l00028"></a>00028 <span class="preprocessor">#ifdef __GNUG__</span> <a name="l00029"></a>00029 <span class="preprocessor"></span><span class="preprocessor">#pragma interface</span> <a name="l00030"></a>00030 <span class="preprocessor"></span><span class="preprocessor">#endif</span> <a name="l00031"></a>00031 <span class="preprocessor"></span> <a name="l00032"></a>00032 <span class="preprocessor">#ifndef _chemistry_qc_mbptr12_moindexspace_h</span> <a name="l00033"></a>00033 <span class="preprocessor"></span><span class="preprocessor">#define _chemistry_qc_mbptr12_moindexspace_h</span> <a name="l00034"></a>00034 <span class="preprocessor"></span> <a name="l00035"></a>00035 <span class="preprocessor">#include <vector></span> <a name="l00036"></a>00036 <span class="preprocessor">#include <util/ref/ref.h></span> <a name="l00037"></a>00037 <span class="preprocessor">#include <util/state/statein.h></span> <a name="l00038"></a>00038 <span class="preprocessor">#include <util/state/stateout.h></span> <a name="l00039"></a>00039 <span class="preprocessor">#include <math/scmat/abstract.h></span> <a name="l00040"></a>00040 <span class="preprocessor">#include <util/state/statein.h></span> <a name="l00041"></a>00041 <span class="preprocessor">#include <chemistry/qc/basis/basis.h></span> <a name="l00042"></a>00042 <a name="l00043"></a>00043 <span class="keyword">using namespace </span>std; <a name="l00044"></a>00044 <a name="l00045"></a>00045 <span class="keyword">namespace </span>sc { <a name="l00046"></a>00046 <a name="l00055"></a><a class="code" href="classsc_1_1MOIndexSpace.html">00055</a> <span class="keyword">class </span><a class="code" href="classsc_1_1MOIndexSpace.html" title="Class MOIndexSpace describes a range of molecular orbitals or similar objects that...">MOIndexSpace</a> : <span class="keyword">virtual</span> <span class="keyword">public</span> <a class="code" href="classsc_1_1SavableState.html" title="Base class for objects that can save/restore state.">SavableState</a> { <a name="l00056"></a>00056 <a name="l00057"></a>00057 <span class="keyword">public</span>: <a name="l00058"></a>00058 <a name="l00060"></a><a class="code" href="classsc_1_1MOIndexSpace.html#ca1051d574231f529511e8ebd2a936e8">00060</a> <span class="keyword">enum</span> <a class="code" href="classsc_1_1MOIndexSpace.html#ca1051d574231f529511e8ebd2a936e8" title="Describes the ordering of indices.">IndexOrder</a> { symmetry = 0, energy = 1, undefined = 2 }; <a name="l00061"></a>00061 <a name="l00062"></a>00062 <a class="code" href="classsc_1_1MOIndexSpace.html" title="Class MOIndexSpace describes a range of molecular orbitals or similar objects that...">MOIndexSpace</a>(<a class="code" href="classsc_1_1StateIn.html" title="Restores objects that derive from SavableState.">StateIn</a>&); <a name="l00080"></a>00080 <a class="code" href="classsc_1_1MOIndexSpace.html" title="Class MOIndexSpace describes a range of molecular orbitals or similar objects that...">MOIndexSpace</a>(std::string <a class="code" href="classsc_1_1MOIndexSpace.html#9d7653cc93bb95235976c0a7fda6eca2" title="Returns the name of this MOIndexSpace.">name</a>, <span class="keyword">const</span> <a class="code" href="classsc_1_1RefSCMatrix.html" title="The RefSCMatrix class is a smart pointer to an SCMatrix specialization.">RefSCMatrix</a>& full_coefs, <a name="l00081"></a>00081 <span class="keyword">const</span> <a class="code" href="classsc_1_1Ref.html">Ref<GaussianBasisSet></a> <a class="code" href="classsc_1_1MOIndexSpace.html#adcea3200c015a09cee4f6fa211b923a" title="Returns the AO basis set.">basis</a>, <span class="keyword">const</span> <a class="code" href="classsc_1_1Ref.html">Ref<Integral></a>& <a class="code" href="classsc_1_1MOIndexSpace.html#1f5d3bf404291d08283f9f65ad43ce17" title="Returns the integral factory used to instantiate the coefficient matrix.">integral</a>, <a name="l00082"></a>00082 <span class="keyword">const</span> vector<int>& <a class="code" href="classsc_1_1MOIndexSpace.html#bad4ad8e262ef7d5f85ba526766b2dd2" title="Returns the full-space index of the first orbital in each block.">offsets</a>, <span class="keyword">const</span> vector<int>& nmopi, <a name="l00083"></a>00083 <a class="code" href="classsc_1_1MOIndexSpace.html#ca1051d574231f529511e8ebd2a936e8" title="Describes the ordering of indices.">IndexOrder</a> <a class="code" href="classsc_1_1MOIndexSpace.html#1bf1603ff85ea9e3a1b04b47b94973b9" title="Returns the order of the orbitals.">moorder</a> = symmetry, <a name="l00084"></a>00084 <span class="keyword">const</span> <a class="code" href="classsc_1_1RefDiagSCMatrix.html" title="The RefDiagSCMatrix class is a smart pointer to an DiagSCMatrix specialization.">RefDiagSCMatrix</a>& <a class="code" href="classsc_1_1MOIndexSpace.html#9b6a6cf1b719a2626ee04dc0cc2a895f" title="Returns the &quot;eigenvalues&quot; matrix.">evals</a> = 0); <a name="l00090"></a>00090 <a class="code" href="classsc_1_1MOIndexSpace.html" title="Class MOIndexSpace describes a range of molecular orbitals or similar objects that...">MOIndexSpace</a>(std::string <a class="code" href="classsc_1_1MOIndexSpace.html#9d7653cc93bb95235976c0a7fda6eca2" title="Returns the name of this MOIndexSpace.">name</a>, <span class="keyword">const</span> <a class="code" href="classsc_1_1RefSCMatrix.html" title="The RefSCMatrix class is a smart pointer to an SCMatrix specialization.">RefSCMatrix</a>& full_coefs, <a name="l00091"></a>00091 <span class="keyword">const</span> <a class="code" href="classsc_1_1Ref.html">Ref<GaussianBasisSet></a> <a class="code" href="classsc_1_1MOIndexSpace.html#adcea3200c015a09cee4f6fa211b923a" title="Returns the AO basis set.">basis</a>, <span class="keyword">const</span> <a class="code" href="classsc_1_1Ref.html">Ref<Integral></a>& <a class="code" href="classsc_1_1MOIndexSpace.html#1f5d3bf404291d08283f9f65ad43ce17" title="Returns the integral factory used to instantiate the coefficient matrix.">integral</a>, <a name="l00092"></a>00092 <span class="keyword">const</span> <a class="code" href="classsc_1_1RefDiagSCMatrix.html" title="The RefDiagSCMatrix class is a smart pointer to an DiagSCMatrix specialization.">RefDiagSCMatrix</a>& <a class="code" href="classsc_1_1MOIndexSpace.html#9b6a6cf1b719a2626ee04dc0cc2a895f" title="Returns the &quot;eigenvalues&quot; matrix.">evals</a>, <span class="keywordtype">int</span> nfzc, <span class="keywordtype">int</span> nfzv, <a class="code" href="classsc_1_1MOIndexSpace.html#ca1051d574231f529511e8ebd2a936e8" title="Describes the ordering of indices.">IndexOrder</a> <a class="code" href="classsc_1_1MOIndexSpace.html#1bf1603ff85ea9e3a1b04b47b94973b9" title="Returns the order of the orbitals.">moorder</a> = energy); <a name="l00095"></a>00095 <a class="code" href="classsc_1_1MOIndexSpace.html" title="Class MOIndexSpace describes a range of molecular orbitals or similar objects that...">MOIndexSpace</a>(std::string <a class="code" href="classsc_1_1MOIndexSpace.html#9d7653cc93bb95235976c0a7fda6eca2" title="Returns the name of this MOIndexSpace.">name</a>, <span class="keyword">const</span> <a class="code" href="classsc_1_1RefSCMatrix.html" title="The RefSCMatrix class is a smart pointer to an SCMatrix specialization.">RefSCMatrix</a>& full_coefs, <a name="l00096"></a>00096 <span class="keyword">const</span> <a class="code" href="classsc_1_1Ref.html">Ref<GaussianBasisSet></a> <a class="code" href="classsc_1_1MOIndexSpace.html#adcea3200c015a09cee4f6fa211b923a" title="Returns the AO basis set.">basis</a>, <span class="keyword">const</span> <a class="code" href="classsc_1_1Ref.html">Ref<Integral></a>& <a class="code" href="classsc_1_1MOIndexSpace.html#1f5d3bf404291d08283f9f65ad43ce17" title="Returns the integral factory used to instantiate the coefficient matrix.">integral</a>); <a name="l00097"></a>00097 <a name="l00100"></a>00100 <a class="code" href="classsc_1_1MOIndexSpace.html" title="Class MOIndexSpace describes a range of molecular orbitals or similar objects that...">MOIndexSpace</a>(std::string <a class="code" href="classsc_1_1MOIndexSpace.html#9d7653cc93bb95235976c0a7fda6eca2" title="Returns the name of this MOIndexSpace.">name</a>, <span class="keyword">const</span> <a class="code" href="classsc_1_1Ref.html">Ref<MOIndexSpace></a>& orig_space, <a name="l00101"></a>00101 <span class="keyword">const</span> <a class="code" href="classsc_1_1RefSCMatrix.html" title="The RefSCMatrix class is a smart pointer to an SCMatrix specialization.">RefSCMatrix</a>& new_coefs, <a name="l00102"></a>00102 <span class="keyword">const</span> <a class="code" href="classsc_1_1Ref.html">Ref<GaussianBasisSet></a>& new_basis); <a name="l00103"></a>00103 ~<a class="code" href="classsc_1_1MOIndexSpace.html" title="Class MOIndexSpace describes a range of molecular orbitals or similar objects that...">MOIndexSpace</a>(); <a name="l00104"></a>00104 <a name="l00105"></a>00105 <span class="keywordtype">void</span> <a class="code" href="classsc_1_1MOIndexSpace.html#ab85d02d88df26ad891a28bec9d51017" title="Save the base classes (with save_data_state) and the members in the same order that...">save_data_state</a>(<a class="code" href="classsc_1_1StateOut.html" title="Serializes objects that derive from SavableState.">StateOut</a>&); <a name="l00106"></a>00106 <a name="l00108"></a>00108 <span class="keyword">const</span> std::string <a class="code" href="classsc_1_1MOIndexSpace.html#9d7653cc93bb95235976c0a7fda6eca2" title="Returns the name of this MOIndexSpace.">name</a>() <span class="keyword">const</span>; <a name="l00110"></a>00110 <span class="keyword">const</span> <a class="code" href="classsc_1_1Ref.html">Ref<GaussianBasisSet></a> <a class="code" href="classsc_1_1MOIndexSpace.html#adcea3200c015a09cee4f6fa211b923a" title="Returns the AO basis set.">basis</a>() <span class="keyword">const</span>; <a name="l00112"></a>00112 <a class="code" href="classsc_1_1Ref.html">Ref<Integral></a> <a class="code" href="classsc_1_1MOIndexSpace.html#1f5d3bf404291d08283f9f65ad43ce17" title="Returns the integral factory used to instantiate the coefficient matrix.">integral</a>() <span class="keyword">const</span>; <a name="l00114"></a>00114 <span class="keyword">const</span> <a class="code" href="classsc_1_1RefSCMatrix.html" title="The RefSCMatrix class is a smart pointer to an SCMatrix specialization.">RefSCMatrix</a> <a class="code" href="classsc_1_1MOIndexSpace.html#fb9eaf4aecb8c07a8395d754f018ddcc" title="Returns the coefficient matrix.">coefs</a>() <span class="keyword">const</span>; <a name="l00116"></a>00116 <span class="keyword">const</span> <a class="code" href="classsc_1_1RefDiagSCMatrix.html" title="The RefDiagSCMatrix class is a smart pointer to an DiagSCMatrix specialization.">RefDiagSCMatrix</a> <a class="code" href="classsc_1_1MOIndexSpace.html#9b6a6cf1b719a2626ee04dc0cc2a895f" title="Returns the &quot;eigenvalues&quot; matrix.">evals</a>() <span class="keyword">const</span>; <a name="l00118"></a>00118 vector<int> <a class="code" href="classsc_1_1MOIndexSpace.html#562983f9f4a8af08bd73e5f98a552304" title="Returns the orbital symmetry array.">mosym</a>() <span class="keyword">const</span>; <a name="l00120"></a>00120 <a class="code" href="classsc_1_1MOIndexSpace.html#ca1051d574231f529511e8ebd2a936e8" title="Describes the ordering of indices.">IndexOrder</a> <a class="code" href="classsc_1_1MOIndexSpace.html#1bf1603ff85ea9e3a1b04b47b94973b9" title="Returns the order of the orbitals.">moorder</a>() <span class="keyword">const</span>; <a name="l00122"></a>00122 <span class="keywordtype">int</span> <a class="code" href="classsc_1_1MOIndexSpace.html#2c83f8b24c3daac61a05cccfb3756614" title="Returns the rank of the space.">rank</a>() <span class="keyword">const</span>; <a name="l00124"></a>00124 <span class="keywordtype">int</span> <a class="code" href="classsc_1_1MOIndexSpace.html#481a2a4b2b0e696bd7d2313a4665b6a6" title="Returns the rank of the full space.">full_rank</a>() <span class="keyword">const</span>; <a name="l00126"></a>00126 <span class="keywordtype">int</span> <a class="code" href="classsc_1_1MOIndexSpace.html#16657a57e50417f2ec73db43bdfc712e" title="Returns the number of blocks.">nblocks</a>() <span class="keyword">const</span>; <a name="l00128"></a>00128 vector<int> <a class="code" href="classsc_1_1MOIndexSpace.html#7cd38f301d1cc48a74ff8c4cb1fe9cd2" title="Returns the number of orbitals in each block.">nmo</a>() <span class="keyword">const</span>; <a name="l00130"></a>00130 vector<int> <a class="code" href="classsc_1_1MOIndexSpace.html#bad4ad8e262ef7d5f85ba526766b2dd2" title="Returns the full-space index of the first orbital in each block.">offsets</a>() <span class="keyword">const</span>; <a name="l00132"></a>00132 <span class="keywordtype">int</span> <a class="code" href="classsc_1_1MOIndexSpace.html#0fb106b7d3be22d4a420b1427f518bdc" title="Returns the full-space index.">to_full_space</a>(<span class="keyword">const</span> <span class="keywordtype">int</span> i) <span class="keyword">const</span>; <a name="l00133"></a>00133 <a name="l00135"></a>00135 <span class="keywordtype">size_t</span> <a class="code" href="classsc_1_1MOIndexSpace.html#696558106f9b3751ed50fbb7f2bac652" title="Returns how much &quot;significant&quot; (i.e. O^2) memory this object uses.">memory_in_use</a>() <span class="keyword">const</span>; <a name="l00136"></a>00136 <a name="l00138"></a>00138 <span class="keywordtype">void</span> <a class="code" href="classsc_1_1MOIndexSpace.html#939943827184728b04109fee7ce159e4" title="Prints out this.">print</a>(std::ostream&o=<a class="code" href="classsc_1_1ExEnv.html#360216acd1f990e999c0ed46cb350b1f" title="Return an ostream that writes from node 0.">ExEnv::out0</a>()) <span class="keyword">const</span>; <a name="l00140"></a>00140 <span class="keywordtype">void</span> <a class="code" href="classsc_1_1MOIndexSpace.html#aca6a4768a6721b49a50538f287a4507" title="Produces a short summary.">print_summary</a>(std::ostream& os) <span class="keyword">const</span>; <a name="l00141"></a>00141 <a name="l00142"></a>00142 <span class="keyword">private</span>: <a name="l00143"></a>00143 std::string name_; <span class="comment">// String identifier for the orbital space</span> <a name="l00144"></a>00144 <a name="l00145"></a>00145 <a class="code" href="classsc_1_1Ref.html">Ref<GaussianBasisSet></a> basis_; <span class="comment">// The AO basis</span> <a name="l00146"></a>00146 <a class="code" href="classsc_1_1Ref.html">Ref<Integral></a> integral_; <span class="comment">// The integral factory</span> <a name="l00147"></a>00147 <a class="code" href="classsc_1_1RefSCMatrix.html" title="The RefSCMatrix class is a smart pointer to an SCMatrix specialization.">RefSCMatrix</a> coefs_; <span class="comment">// AO->MO transformation coefficients (nao by nmo matrix)</span> <a name="l00148"></a>00148 <a class="code" href="classsc_1_1RefDiagSCMatrix.html" title="The RefDiagSCMatrix class is a smart pointer to an DiagSCMatrix specialization.">RefDiagSCMatrix</a> evals_; <span class="comment">// "eigenvalues" associated with the MOs</span> <a name="l00149"></a>00149 <a class="code" href="classsc_1_1RefSCDimension.html" title="The RefSCDimension class is a smart pointer to an SCDimension specialization.">RefSCDimension</a> modim_; <span class="comment">// The MO dimension</span> <a name="l00150"></a>00150 vector<int> mosym_; <span class="comment">// irrep of each orbital</span> <a name="l00151"></a>00151 <a name="l00152"></a>00152 <span class="keywordtype">int</span> rank_; <span class="comment">// The rank of this space</span> <a name="l00153"></a>00153 <span class="keywordtype">int</span> full_rank_; <span class="comment">// Rank of the full space, i.e. number of MOs</span> <a name="l00154"></a>00154 <span class="keywordtype">int</span> nblocks_; <span class="comment">// Number of blocks</span> <a name="l00155"></a>00155 vector<int> nmo_; <span class="comment">// Number of MOs in each block</span> <a name="l00156"></a>00156 vector<int> offsets_; <span class="comment">// Index of the first MO in each block relative to the first MO of that block in full space</span> <a name="l00157"></a>00157 vector<int> map_to_full_space_; <span class="comment">// Full-space index</span> <a name="l00158"></a>00158 <a name="l00159"></a>00159 <a class="code" href="classsc_1_1MOIndexSpace.html#ca1051d574231f529511e8ebd2a936e8" title="Describes the ordering of indices.">IndexOrder</a> moorder_; <a name="l00160"></a>00160 <a name="l00161"></a>00161 <span class="comment">// checks mosym_ for irrep indices outside of the allowed range</span> <a name="l00162"></a>00162 <span class="keywordtype">void</span> check_mosym() <span class="keyword">const</span>; <a name="l00163"></a>00163 <a name="l00164"></a>00164 <span class="comment">// determines offsets_ and nmo_ from nfzc, nfzv, and evals</span> <a name="l00165"></a>00165 <span class="keywordtype">void</span> frozen_to_blockinfo(<span class="keyword">const</span> <span class="keywordtype">int</span> nfzc, <span class="keyword">const</span> <span class="keywordtype">int</span> nfzv, <span class="keyword">const</span> <a class="code" href="classsc_1_1RefDiagSCMatrix.html" title="The RefDiagSCMatrix class is a smart pointer to an DiagSCMatrix specialization.">RefDiagSCMatrix</a>& <a class="code" href="classsc_1_1MOIndexSpace.html#9b6a6cf1b719a2626ee04dc0cc2a895f" title="Returns the &quot;eigenvalues&quot; matrix.">evals</a>); <a name="l00166"></a>00166 <a name="l00167"></a>00167 <span class="comment">// computes coefficient matrix from the full coefficient matrix. If moorder_ == energy</span> <a name="l00168"></a>00168 <span class="comment">// then the MO vectors will be sorted by their eigenvalues</span> <a name="l00169"></a>00169 <span class="keywordtype">void</span> full_coefs_to_coefs(<span class="keyword">const</span> <a class="code" href="classsc_1_1RefSCMatrix.html" title="The RefSCMatrix class is a smart pointer to an SCMatrix specialization.">RefSCMatrix</a>& full_coefs, <span class="keyword">const</span> <a class="code" href="classsc_1_1RefDiagSCMatrix.html" title="The RefDiagSCMatrix class is a smart pointer to an DiagSCMatrix specialization.">RefDiagSCMatrix</a>& <a class="code" href="classsc_1_1MOIndexSpace.html#9b6a6cf1b719a2626ee04dc0cc2a895f" title="Returns the &quot;eigenvalues&quot; matrix.">evals</a>); <a name="l00170"></a>00170 <a name="l00171"></a>00171 <span class="comment">// initialize the object</span> <a name="l00172"></a>00172 <span class="keywordtype">void</span> init(); <a name="l00173"></a>00173 <a name="l00174"></a>00174 <span class="comment">// sorting functions borrowed from mbpt.cc</span> <a name="l00175"></a>00175 <span class="keyword">static</span> <span class="keywordtype">void</span> dquicksort(<span class="keywordtype">double</span> *item,<span class="keywordtype">int</span> *index,<span class="keywordtype">int</span> n); <a name="l00176"></a>00176 <span class="keyword">static</span> <span class="keywordtype">void</span> dqs(<span class="keywordtype">double</span> *item,<span class="keywordtype">int</span> *index,<span class="keywordtype">int</span> left,<span class="keywordtype">int</span> right); <a name="l00177"></a>00177 <a name="l00178"></a>00178 }; <a name="l00179"></a>00179 <a name="l00180"></a>00180 } <a name="l00181"></a>00181 <a name="l00182"></a>00182 <span class="preprocessor">#endif</span> <a name="l00183"></a>00183 <span class="preprocessor"></span> <a name="l00184"></a>00184 <span class="comment">// Local Variables:</span> <a name="l00185"></a>00185 <span class="comment">// mode: c++</span> <a name="l00186"></a>00186 <span class="comment">// c-file-style: "CLJ"</span> <a name="l00187"></a>00187 <span class="comment">// End:</span> <a name="l00188"></a>00188 <a name="l00189"></a>00189 </pre></div></div> <hr> <address> <small> Generated at Wed Oct 14 14:12:10 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>