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mpqc-html-2.3.1-9mdv2010.0.i586.rpm

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<h1>svd.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">// svd.h</span>
<a name="l00003"></a>00003 <span class="comment">//</span>
<a name="l00004"></a>00004 <span class="comment">// Copyright (C) 2005 Edward Valeev</span>
<a name="l00005"></a>00005 <span class="comment">//</span>
<a name="l00006"></a>00006 <span class="comment">// Author: Edward Valeev &lt;edward.valeev@chemistry.gatech.edu&gt;</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_svd_h</span>
<a name="l00033"></a>00033 <span class="preprocessor"></span><span class="preprocessor">#define _chemistry_qc_mbptr12_svd_h</span>
<a name="l00034"></a>00034 <span class="preprocessor"></span>
<a name="l00035"></a>00035 <span class="preprocessor">#include &lt;math/scmat/matrix.h&gt;</span>
<a name="l00036"></a>00036 
<a name="l00037"></a>00037 <span class="keyword">using namespace </span>std;
<a name="l00038"></a>00038 
<a name="l00039"></a>00039 <span class="keyword">namespace </span>sc {
<a name="l00040"></a>00040 
<a name="l00041"></a>00041   <span class="keyword">namespace </span>exp {
<a name="l00042"></a>00042 
<a name="l00046"></a>00046     <span class="keywordtype">void</span> lapack_svd(<span class="keyword">const</span> RefSCMatrix&amp; A,
<a name="l00047"></a>00047                     RefSCMatrix&amp; U,
<a name="l00048"></a>00048                     RefDiagSCMatrix&amp; Sigma,
<a name="l00049"></a>00049                     RefSCMatrix&amp; V);
<a name="l00050"></a>00050 
<a name="l00054"></a>00054     <span class="keywordtype">void</span> lapack_linsolv_symmnondef(<span class="keyword">const</span> RefSymmSCMatrix&amp; A,
<a name="l00055"></a>00055                                    RefSCVector&amp; X,
<a name="l00056"></a>00056                                    <span class="keyword">const</span> RefSCVector&amp; B);
<a name="l00057"></a>00057 
<a name="l00061"></a>00061     <span class="keywordtype">void</span> lapack_linsolv_symmnondef(<span class="keyword">const</span> RefSymmSCMatrix&amp; A,
<a name="l00062"></a>00062                                    RefSCMatrix&amp; X,
<a name="l00063"></a>00063                                    <span class="keyword">const</span> RefSCMatrix&amp; B);
<a name="l00064"></a>00064 
<a name="l00065"></a>00065   }
<a name="l00066"></a>00066 }
<a name="l00067"></a>00067 
<a name="l00068"></a>00068 <span class="preprocessor">#endif</span>
<a name="l00069"></a>00069 <span class="preprocessor"></span>
<a name="l00070"></a>00070 <span class="comment">// Local Variables:</span>
<a name="l00071"></a>00071 <span class="comment">// mode: c++</span>
<a name="l00072"></a>00072 <span class="comment">// c-file-style: "CLJ"</span>
<a name="l00073"></a>00073 <span class="comment">// End:</span>
<a name="l00074"></a>00074 
<a name="l00075"></a>00075 
</pre></div></div>
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