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<h1>integrator.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">// integrator.h --- definition of the electron density integrator</span>
<a name="l00003"></a>00003 <span class="comment">//</span>
<a name="l00004"></a>00004 <span class="comment">// Copyright (C) 1997 Limit Point Systems, Inc.</span>
<a name="l00005"></a>00005 <span class="comment">//</span>
<a name="l00006"></a>00006 <span class="comment">// Author: Curtis Janssen <cljanss@limitpt.com></span>
<a name="l00007"></a>00007 <span class="comment">// Maintainer: LPS</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">#ifndef _chemistry_qc_dft_integrator_h</span>
<a name="l00029"></a>00029 <span class="preprocessor"></span><span class="preprocessor">#define _chemistry_qc_dft_integrator_h</span>
<a name="l00030"></a>00030 <span class="preprocessor"></span>
<a name="l00031"></a>00031 <span class="preprocessor">#ifdef __GNUC__</span>
<a name="l00032"></a>00032 <span class="preprocessor"></span><span class="preprocessor">#pragma interface</span>
<a name="l00033"></a>00033 <span class="preprocessor"></span><span class="preprocessor">#endif</span>
<a name="l00034"></a>00034 <span class="preprocessor"></span>
<a name="l00035"></a>00035 <span class="preprocessor">#include <util/state/state.h></span>
<a name="l00036"></a>00036 <span class="preprocessor">#include <util/group/thread.h></span>
<a name="l00037"></a>00037 <span class="preprocessor">#include <chemistry/qc/dft/functional.h></span>
<a name="l00038"></a>00038 <span class="preprocessor">#include <chemistry/qc/basis/extent.h></span>
<a name="l00039"></a>00039 <span class="preprocessor">#include <chemistry/qc/wfn/density.h></span>
<a name="l00040"></a>00040
<a name="l00041"></a>00041 <span class="keyword">namespace </span>sc {
<a name="l00042"></a>00042
<a name="l00044"></a><a class="code" href="classsc_1_1DenIntegrator.html">00044</a> <span class="keyword">class </span><a class="code" href="classsc_1_1DenIntegrator.html" title="An abstract base class for integrating the electron density.">DenIntegrator</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="l00045"></a>00045 <span class="keyword">protected</span>:
<a name="l00046"></a>00046 <a class="code" href="classsc_1_1Ref.html">Ref<Wavefunction></a> wfn_;
<a name="l00047"></a>00047 <span class="comment">//clj Ref<ShellExtent> extent_;</span>
<a name="l00048"></a>00048 <a class="code" href="classsc_1_1Ref.html">Ref<BatchElectronDensity></a> den_;
<a name="l00049"></a>00049
<a name="l00050"></a>00050 <a class="code" href="classsc_1_1Ref.html">Ref<ThreadGrp></a> threadgrp_;
<a name="l00051"></a>00051 <a class="code" href="classsc_1_1Ref.html">Ref<MessageGrp></a> messagegrp_;
<a name="l00052"></a>00052
<a name="l00053"></a>00053 <span class="keywordtype">double</span> value_;
<a name="l00054"></a>00054 <span class="keywordtype">double</span> accuracy_;
<a name="l00055"></a>00055
<a name="l00056"></a>00056 <span class="keywordtype">double</span> *alpha_vmat_;
<a name="l00057"></a>00057 <span class="keywordtype">double</span> *beta_vmat_;
<a name="l00058"></a>00058
<a name="l00059"></a>00059 <span class="comment">//clj double *alpha_dmat_;</span>
<a name="l00060"></a>00060 <span class="comment">//clj double *beta_dmat_;</span>
<a name="l00061"></a>00061 <span class="comment">//clj double *dmat_bound_;</span>
<a name="l00062"></a>00062
<a name="l00063"></a>00063 <span class="keywordtype">int</span> spin_polarized_;
<a name="l00064"></a>00064
<a name="l00065"></a>00065 <span class="keywordtype">int</span> need_density_; <span class="comment">// specialization must set to 1 if it needs density_</span>
<a name="l00066"></a>00066 <span class="keywordtype">double</span> density_;
<a name="l00067"></a>00067 <span class="keywordtype">int</span> nbasis_;
<a name="l00068"></a>00068 <span class="keywordtype">int</span> nshell_;
<a name="l00069"></a>00069 <span class="keywordtype">int</span> n_integration_center_;
<a name="l00070"></a>00070 <span class="keywordtype">int</span> natom_;
<a name="l00071"></a>00071 <span class="keywordtype">int</span> compute_potential_integrals_; <span class="comment">// 1 if potential integrals are needed</span>
<a name="l00072"></a>00072
<a name="l00073"></a>00073 <span class="keywordtype">int</span> linear_scaling_;
<a name="l00074"></a>00074 <span class="keywordtype">int</span> use_dmat_bound_;
<a name="l00075"></a>00075
<a name="l00076"></a>00076 <span class="keywordtype">void</span> init_integration(<span class="keyword">const</span> <a class="code" href="classsc_1_1Ref.html">Ref<DenFunctional></a> &func,
<a name="l00077"></a>00077 <span class="keyword">const</span> <a class="code" href="classsc_1_1RefSymmSCMatrix.html" title="The RefSymmSCMatrix class is a smart pointer to an SCSymmSCMatrix specialization...">RefSymmSCMatrix</a>& densa,
<a name="l00078"></a>00078 <span class="keyword">const</span> <a class="code" href="classsc_1_1RefSymmSCMatrix.html" title="The RefSymmSCMatrix class is a smart pointer to an SCSymmSCMatrix specialization...">RefSymmSCMatrix</a>& densb,
<a name="l00079"></a>00079 <span class="keywordtype">double</span> *nuclear_gradient);
<a name="l00080"></a>00080 <span class="keywordtype">void</span> done_integration();
<a name="l00081"></a>00081
<a name="l00082"></a>00082 <span class="keywordtype">void</span> init_object();
<a name="l00083"></a>00083 <span class="keyword">public</span>:
<a name="l00085"></a>00085 <a class="code" href="classsc_1_1DenIntegrator.html#6db05f97a8077923b8764671104f0d81" title="Construct a new DenIntegrator.">DenIntegrator</a>();
<a name="l00087"></a>00087 <a class="code" href="classsc_1_1DenIntegrator.html#6db05f97a8077923b8764671104f0d81" title="Construct a new DenIntegrator.">DenIntegrator</a>(<span class="keyword">const</span> <a class="code" href="classsc_1_1Ref.html">Ref<KeyVal></a> &);
<a name="l00089"></a>00089 <a class="code" href="classsc_1_1DenIntegrator.html#6db05f97a8077923b8764671104f0d81" title="Construct a new DenIntegrator.">DenIntegrator</a>(<a class="code" href="classsc_1_1StateIn.html" title="Restores objects that derive from SavableState.">StateIn</a> &);
<a name="l00090"></a>00090 ~<a class="code" href="classsc_1_1DenIntegrator.html" title="An abstract base class for integrating the electron density.">DenIntegrator</a>();
<a name="l00091"></a>00091 <span class="keywordtype">void</span> <a class="code" href="classsc_1_1DenIntegrator.html#02a397ea3ff34254cc2711d9b6af1e7e" 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="l00092"></a>00092
<a name="l00094"></a><a class="code" href="classsc_1_1DenIntegrator.html#ad61acd80a2407e54f823cf05e59b523">00094</a> <a class="code" href="classsc_1_1Ref.html">Ref<Wavefunction></a> <a class="code" href="classsc_1_1DenIntegrator.html#ad61acd80a2407e54f823cf05e59b523" title="Returns the wavefunction used for the integration.">wavefunction</a>()<span class="keyword"> const </span>{ <span class="keywordflow">return</span> wfn_; }
<a name="l00096"></a><a class="code" href="classsc_1_1DenIntegrator.html#123f821f072c1842756d8ec8244da740">00096</a> <span class="keywordtype">double</span> <a class="code" href="classsc_1_1DenIntegrator.html#123f821f072c1842756d8ec8244da740" title="Returns the result of the integration.">value</a>()<span class="keyword"> const </span>{ <span class="keywordflow">return</span> value_; }
<a name="l00097"></a>00097
<a name="l00099"></a>00099 <span class="keywordtype">void</span> <a class="code" href="classsc_1_1DenIntegrator.html#017b9625f75ca2e327ef558fb5270452" title="Sets the accuracy to use in the integration.">set_accuracy</a>(<span class="keywordtype">double</span> a);
<a name="l00100"></a>00100 <span class="keywordtype">double</span> get_accuracy(<span class="keywordtype">void</span>) {<span class="keywordflow">return</span> accuracy_; }
<a name="l00103"></a>00103 <span class="keywordtype">void</span> <a class="code" href="classsc_1_1DenIntegrator.html#c0680a07dd48804631a2b1dab2ede3dc" title="Call with non zero if the potential integrals are to be computed.">set_compute_potential_integrals</a>(<span class="keywordtype">int</span>);
<a name="l00106"></a><a class="code" href="classsc_1_1DenIntegrator.html#87ea16380f47206c2915f8fc0fdb9c5c">00106</a> <span class="keyword">const</span> <span class="keywordtype">double</span> *<a class="code" href="classsc_1_1DenIntegrator.html#87ea16380f47206c2915f8fc0fdb9c5c" title="Returns the alpha potential integrals.">alpha_vmat</a>()<span class="keyword"> const </span>{ <span class="keywordflow">return</span> alpha_vmat_; }
<a name="l00109"></a><a class="code" href="classsc_1_1DenIntegrator.html#e11e6b3fef22a0f08113dd220f08d35d">00109</a> <span class="keyword">const</span> <span class="keywordtype">double</span> *<a class="code" href="classsc_1_1DenIntegrator.html#e11e6b3fef22a0f08113dd220f08d35d" title="Returns the beta potential integrals.">beta_vmat</a>()<span class="keyword"> const </span>{ <span class="keywordflow">return</span> beta_vmat_; }
<a name="l00110"></a>00110
<a name="l00113"></a>00113 <span class="keyword">virtual</span> <span class="keywordtype">void</span> <a class="code" href="classsc_1_1DenIntegrator.html#1733cc4decade0166c5aeb674ae64e04" title="Called before integrate.">init</a>(<span class="keyword">const</span> <a class="code" href="classsc_1_1Ref.html">Ref<Wavefunction></a> &);
<a name="l00115"></a>00115 <span class="keyword">virtual</span> <span class="keywordtype">void</span> <a class="code" href="classsc_1_1DenIntegrator.html#b1bf36b7d9774324d2b7358c7adcd690" title="Must be called between calls to init.">done</a>();
<a name="l00119"></a>00119 <span class="keyword">virtual</span> <span class="keywordtype">void</span> <a class="code" href="classsc_1_1DenIntegrator.html#24279f7a67f5086c31dc5921ee15c966" title="Performs the integration of the given functional using the given alpha and beta density...">integrate</a>(<span class="keyword">const</span> <a class="code" href="classsc_1_1Ref.html">Ref<DenFunctional></a> &,
<a name="l00120"></a>00120 <span class="keyword">const</span> <a class="code" href="classsc_1_1RefSymmSCMatrix.html" title="The RefSymmSCMatrix class is a smart pointer to an SCSymmSCMatrix specialization...">RefSymmSCMatrix</a>& densa =0,
<a name="l00121"></a>00121 <span class="keyword">const</span> <a class="code" href="classsc_1_1RefSymmSCMatrix.html" title="The RefSymmSCMatrix class is a smart pointer to an SCSymmSCMatrix specialization...">RefSymmSCMatrix</a>& densb =0,
<a name="l00122"></a>00122 <span class="keywordtype">double</span> *nuclear_grad = 0) = 0;
<a name="l00123"></a>00123 };
<a name="l00124"></a>00124
<a name="l00125"></a>00125
<a name="l00127"></a><a class="code" href="classsc_1_1IntegrationWeight.html">00127</a> <span class="keyword">class </span><a class="code" href="classsc_1_1IntegrationWeight.html" title="An abstract base class for computing grid weights.">IntegrationWeight</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="l00128"></a>00128
<a name="l00129"></a>00129 <span class="keyword">protected</span>:
<a name="l00130"></a>00130
<a name="l00131"></a>00131 <a class="code" href="classsc_1_1Ref.html">Ref<Molecule></a> mol_;
<a name="l00132"></a>00132 <span class="keywordtype">double</span> tol_;
<a name="l00133"></a>00133
<a name="l00134"></a>00134 <span class="keywordtype">void</span> fd_w(<span class="keywordtype">int</span> icenter, SCVector3 &point, <span class="keywordtype">double</span> *fd_grad_w);
<a name="l00135"></a>00135
<a name="l00136"></a>00136 <span class="keyword">public</span>:
<a name="l00137"></a>00137 <a class="code" href="classsc_1_1IntegrationWeight.html" title="An abstract base class for computing grid weights.">IntegrationWeight</a>();
<a name="l00138"></a>00138 <a class="code" href="classsc_1_1IntegrationWeight.html" title="An abstract base class for computing grid weights.">IntegrationWeight</a>(<span class="keyword">const</span> <a class="code" href="classsc_1_1Ref.html">Ref<KeyVal></a> &);
<a name="l00139"></a>00139 <a class="code" href="classsc_1_1IntegrationWeight.html" title="An abstract base class for computing grid weights.">IntegrationWeight</a>(<a class="code" href="classsc_1_1StateIn.html" title="Restores objects that derive from SavableState.">StateIn</a> &);
<a name="l00140"></a>00140 ~<a class="code" href="classsc_1_1IntegrationWeight.html" title="An abstract base class for computing grid weights.">IntegrationWeight</a>();
<a name="l00141"></a>00141 <span class="keywordtype">void</span> <a class="code" href="classsc_1_1IntegrationWeight.html#b9d751da3162dfc49140f5b836c4bbfa" 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="l00142"></a>00142
<a name="l00143"></a>00143 <span class="keywordtype">void</span> test(<span class="keywordtype">int</span> icenter, SCVector3 &point);
<a name="l00144"></a>00144 <span class="keywordtype">void</span> test();
<a name="l00145"></a>00145
<a name="l00147"></a>00147 <span class="keyword">virtual</span> <span class="keywordtype">void</span> <a class="code" href="classsc_1_1IntegrationWeight.html#b117a6b1636cf6d422b4c2a74fe5b2e5" title="Initialize the integration weight object.">init</a>(<span class="keyword">const</span> <a class="code" href="classsc_1_1Ref.html">Ref<Molecule></a> &, <span class="keywordtype">double</span> tolerance);
<a name="l00149"></a>00149 <span class="keyword">virtual</span> <span class="keywordtype">void</span> <a class="code" href="classsc_1_1IntegrationWeight.html#38f9ade35499d48f46e1361231afd8ec" title="Called when finished with the integration weight object.">done</a>();
<a name="l00154"></a>00154 <span class="keyword">virtual</span> <span class="keywordtype">double</span> <a class="code" href="classsc_1_1IntegrationWeight.html#23b04cc6eee984377d732677a31af539" title="Computes the weight for a given center at a given point in space.">w</a>(<span class="keywordtype">int</span> center, SCVector3 &point, <span class="keywordtype">double</span> *grad_w = 0) = 0;
<a name="l00155"></a>00155 };
<a name="l00156"></a>00156
<a name="l00157"></a>00157
<a name="l00159"></a><a class="code" href="classsc_1_1BeckeIntegrationWeight.html">00159</a> <span class="keyword">class </span><a class="code" href="classsc_1_1BeckeIntegrationWeight.html" title="Implements Becke&#39;s integration weight scheme.">BeckeIntegrationWeight</a>: <span class="keyword">public</span> <a class="code" href="classsc_1_1IntegrationWeight.html" title="An abstract base class for computing grid weights.">IntegrationWeight</a> {
<a name="l00160"></a>00160
<a name="l00161"></a>00161 <span class="keywordtype">int</span> n_integration_centers;
<a name="l00162"></a>00162 SCVector3 *centers;
<a name="l00163"></a>00163 <span class="keywordtype">double</span> *atomic_radius;
<a name="l00164"></a>00164
<a name="l00165"></a>00165 <span class="keywordtype">double</span> **a_mat;
<a name="l00166"></a>00166 <span class="keywordtype">double</span> **oorab;
<a name="l00167"></a>00167
<a name="l00168"></a>00168 <span class="keywordtype">void</span> compute_grad_p(<span class="keywordtype">int</span> gc, <span class="keywordtype">int</span> ic, <span class="keywordtype">int</span> wc, SCVector3&r, <span class="keywordtype">double</span> p,
<a name="l00169"></a>00169 SCVector3&g);
<a name="l00170"></a>00170 <span class="keywordtype">void</span> compute_grad_nu(<span class="keywordtype">int</span> gc, <span class="keywordtype">int</span> bc, SCVector3 &point, SCVector3 &grad);
<a name="l00171"></a>00171
<a name="l00172"></a>00172 <span class="keywordtype">double</span> compute_t(<span class="keywordtype">int</span> ic, <span class="keywordtype">int</span> jc, SCVector3 &point);
<a name="l00173"></a>00173 <span class="keywordtype">double</span> compute_p(<span class="keywordtype">int</span> icenter, SCVector3&point);
<a name="l00174"></a>00174
<a name="l00175"></a>00175 <span class="keyword">public</span>:
<a name="l00176"></a>00176 <a class="code" href="classsc_1_1BeckeIntegrationWeight.html" title="Implements Becke&#39;s integration weight scheme.">BeckeIntegrationWeight</a>();
<a name="l00177"></a>00177 <a class="code" href="classsc_1_1BeckeIntegrationWeight.html" title="Implements Becke&#39;s integration weight scheme.">BeckeIntegrationWeight</a>(<span class="keyword">const</span> <a class="code" href="classsc_1_1Ref.html">Ref<KeyVal></a> &);
<a name="l00178"></a>00178 <a class="code" href="classsc_1_1BeckeIntegrationWeight.html" title="Implements Becke&#39;s integration weight scheme.">BeckeIntegrationWeight</a>(<a class="code" href="classsc_1_1StateIn.html" title="Restores objects that derive from SavableState.">StateIn</a> &);
<a name="l00179"></a>00179 ~<a class="code" href="classsc_1_1BeckeIntegrationWeight.html" title="Implements Becke&#39;s integration weight scheme.">BeckeIntegrationWeight</a>();
<a name="l00180"></a>00180 <span class="keywordtype">void</span> <a class="code" href="classsc_1_1BeckeIntegrationWeight.html#807732ce55646507d45b94f6ea2ea23b" 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="l00181"></a>00181
<a name="l00182"></a>00182 <span class="keywordtype">void</span> <a class="code" href="classsc_1_1BeckeIntegrationWeight.html#6c7df9312d48ebd258b06d80e7fa8604" title="Initialize the integration weight object.">init</a>(<span class="keyword">const</span> <a class="code" href="classsc_1_1Ref.html">Ref<Molecule></a> &, <span class="keywordtype">double</span> tolerance);
<a name="l00183"></a>00183 <span class="keywordtype">void</span> <a class="code" href="classsc_1_1BeckeIntegrationWeight.html#9914f029a368c3253f345e66f53faf50" title="Called when finished with the integration weight object.">done</a>();
<a name="l00184"></a>00184 <span class="keywordtype">double</span> <a class="code" href="classsc_1_1BeckeIntegrationWeight.html#21d5002892556047d7d304a9d03ee51e" title="Computes the weight for a given center at a given point in space.">w</a>(<span class="keywordtype">int</span> center, SCVector3 &point, <span class="keywordtype">double</span> *grad_w = 0);
<a name="l00185"></a>00185 };
<a name="l00186"></a>00186
<a name="l00188"></a><a class="code" href="classsc_1_1RadialIntegrator.html">00188</a> <span class="keyword">class </span><a class="code" href="classsc_1_1RadialIntegrator.html" title="An abstract base class for radial integrators.">RadialIntegrator</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="l00189"></a>00189 <span class="keyword">protected</span>:
<a name="l00190"></a>00190 <span class="keywordtype">int</span> nr_;
<a name="l00191"></a>00191 <span class="keyword">public</span>:
<a name="l00192"></a>00192 <a class="code" href="classsc_1_1RadialIntegrator.html" title="An abstract base class for radial integrators.">RadialIntegrator</a>();
<a name="l00193"></a>00193 <a class="code" href="classsc_1_1RadialIntegrator.html" title="An abstract base class for radial integrators.">RadialIntegrator</a>(<span class="keyword">const</span> <a class="code" href="classsc_1_1Ref.html">Ref<KeyVal></a> &);
<a name="l00194"></a>00194 <a class="code" href="classsc_1_1RadialIntegrator.html" title="An abstract base class for radial integrators.">RadialIntegrator</a>(<a class="code" href="classsc_1_1StateIn.html" title="Restores objects that derive from SavableState.">StateIn</a> &);
<a name="l00195"></a>00195 ~<a class="code" href="classsc_1_1RadialIntegrator.html" title="An abstract base class for radial integrators.">RadialIntegrator</a>();
<a name="l00196"></a>00196 <span class="keywordtype">void</span> <a class="code" href="classsc_1_1RadialIntegrator.html#3571160e295e26db096f2055d5df0a11" 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="l00197"></a>00197
<a name="l00198"></a>00198 <span class="keyword">virtual</span> <span class="keywordtype">int</span> nr() <span class="keyword">const</span> = 0;
<a name="l00199"></a>00199 <span class="keyword">virtual</span> <span class="keywordtype">double</span> radial_value(<span class="keywordtype">int</span> ir, <span class="keywordtype">int</span> nr, <span class="keywordtype">double</span> radii,
<a name="l00200"></a>00200 <span class="keywordtype">double</span> &multiplier) = 0;
<a name="l00201"></a>00201 };
<a name="l00202"></a>00202
<a name="l00203"></a>00203
<a name="l00205"></a><a class="code" href="classsc_1_1AngularIntegrator.html">00205</a> <span class="keyword">class </span><a class="code" href="classsc_1_1AngularIntegrator.html" title="An abstract base class for angular integrators.">AngularIntegrator</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="l00206"></a>00206 <span class="keyword">protected</span>:
<a name="l00207"></a>00207 <span class="keyword">public</span>:
<a name="l00208"></a>00208 <a class="code" href="classsc_1_1AngularIntegrator.html" title="An abstract base class for angular integrators.">AngularIntegrator</a>();
<a name="l00209"></a>00209 <a class="code" href="classsc_1_1AngularIntegrator.html" title="An abstract base class for angular integrators.">AngularIntegrator</a>(<span class="keyword">const</span> <a class="code" href="classsc_1_1Ref.html">Ref<KeyVal></a> &);
<a name="l00210"></a>00210 <a class="code" href="classsc_1_1AngularIntegrator.html" title="An abstract base class for angular integrators.">AngularIntegrator</a>(<a class="code" href="classsc_1_1StateIn.html" title="Restores objects that derive from SavableState.">StateIn</a> &);
<a name="l00211"></a>00211 ~<a class="code" href="classsc_1_1AngularIntegrator.html" title="An abstract base class for angular integrators.">AngularIntegrator</a>();
<a name="l00212"></a>00212 <span class="keywordtype">void</span> <a class="code" href="classsc_1_1AngularIntegrator.html#5e9a7b6a6e7f8825eb4ccf091e25df35" 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="l00213"></a>00213
<a name="l00214"></a>00214 <span class="keyword">virtual</span> <span class="keywordtype">int</span> nw(<span class="keywordtype">void</span>) <span class="keyword">const</span> = 0;
<a name="l00215"></a>00215 <span class="keyword">virtual</span> <span class="keywordtype">int</span> num_angular_points(<span class="keywordtype">double</span> r_value, <span class="keywordtype">int</span> ir) = 0;
<a name="l00216"></a>00216 <span class="keyword">virtual</span> <span class="keywordtype">double</span> angular_point_cartesian(<span class="keywordtype">int</span> iangular, <span class="keywordtype">double</span> r,
<a name="l00217"></a>00217 SCVector3 &integration_point) <span class="keyword">const</span> = 0;
<a name="l00218"></a>00218 };
<a name="l00219"></a>00219
<a name="l00220"></a>00220
<a name="l00223"></a><a class="code" href="classsc_1_1EulerMaclaurinRadialIntegrator.html">00223</a> <span class="keyword">class </span><a class="code" href="classsc_1_1EulerMaclaurinRadialIntegrator.html" title="An implementation of a radial integrator using the Euler-Maclaurin weights and grid...">EulerMaclaurinRadialIntegrator</a>: <span class="keyword">public</span> <a class="code" href="classsc_1_1RadialIntegrator.html" title="An abstract base class for radial integrators.">RadialIntegrator</a> {
<a name="l00224"></a>00224 <span class="keyword">public</span>:
<a name="l00225"></a>00225 <a class="code" href="classsc_1_1EulerMaclaurinRadialIntegrator.html" title="An implementation of a radial integrator using the Euler-Maclaurin weights and grid...">EulerMaclaurinRadialIntegrator</a>();
<a name="l00226"></a>00226 <a class="code" href="classsc_1_1EulerMaclaurinRadialIntegrator.html" title="An implementation of a radial integrator using the Euler-Maclaurin weights and grid...">EulerMaclaurinRadialIntegrator</a>(<span class="keywordtype">int</span> i);
<a name="l00230"></a>00230 <a class="code" href="classsc_1_1EulerMaclaurinRadialIntegrator.html" title="An implementation of a radial integrator using the Euler-Maclaurin weights and grid...">EulerMaclaurinRadialIntegrator</a>(<span class="keyword">const</span> <a class="code" href="classsc_1_1Ref.html">Ref<KeyVal></a> &);
<a name="l00231"></a>00231 <a class="code" href="classsc_1_1EulerMaclaurinRadialIntegrator.html" title="An implementation of a radial integrator using the Euler-Maclaurin weights and grid...">EulerMaclaurinRadialIntegrator</a>(<a class="code" href="classsc_1_1StateIn.html" title="Restores objects that derive from SavableState.">StateIn</a> &);
<a name="l00232"></a>00232 ~<a class="code" href="classsc_1_1EulerMaclaurinRadialIntegrator.html" title="An implementation of a radial integrator using the Euler-Maclaurin weights and grid...">EulerMaclaurinRadialIntegrator</a>();
<a name="l00233"></a>00233 <span class="keywordtype">void</span> <a class="code" href="classsc_1_1EulerMaclaurinRadialIntegrator.html#4eafc346d33b17c5fd37bcb3cf7aecd8" 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="l00234"></a>00234
<a name="l00235"></a>00235 <span class="keywordtype">int</span> nr() <span class="keyword">const</span>;
<a name="l00236"></a>00236 <span class="keywordtype">double</span> radial_value(<span class="keywordtype">int</span> ir, <span class="keywordtype">int</span> nr, <span class="keywordtype">double</span> radii, <span class="keywordtype">double</span> &multiplier);
<a name="l00237"></a>00237
<a name="l00238"></a>00238 <span class="keywordtype">void</span> <a class="code" href="classsc_1_1EulerMaclaurinRadialIntegrator.html#18d2906c0b8f84986bee97427a63c7df" title="Print the object.">print</a>(std::ostream & =<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="l00239"></a>00239 };
<a name="l00240"></a>00240
<a name="l00282"></a><a class="code" href="classsc_1_1LebedevLaikovIntegrator.html">00282</a> <span class="keyword">class </span><a class="code" href="classsc_1_1LebedevLaikovIntegrator.html" title="An implementation of a Lebedev angular integrator.">LebedevLaikovIntegrator</a>: <span class="keyword">public</span> <a class="code" href="classsc_1_1AngularIntegrator.html" title="An abstract base class for angular integrators.">AngularIntegrator</a> {
<a name="l00283"></a>00283 <span class="keyword">protected</span>:
<a name="l00284"></a>00284 <span class="keywordtype">int</span> npoint_;
<a name="l00285"></a>00285 <span class="keywordtype">double</span> *x_, *y_, *z_, *w_;
<a name="l00286"></a>00286
<a name="l00287"></a>00287 <span class="keywordtype">void</span> init(<span class="keywordtype">int</span> n);
<a name="l00288"></a>00288 <span class="keyword">public</span>:
<a name="l00289"></a>00289 <a class="code" href="classsc_1_1LebedevLaikovIntegrator.html" title="An implementation of a Lebedev angular integrator.">LebedevLaikovIntegrator</a>();
<a name="l00295"></a>00295 <a class="code" href="classsc_1_1LebedevLaikovIntegrator.html" title="An implementation of a Lebedev angular integrator.">LebedevLaikovIntegrator</a>(<span class="keyword">const</span> <a class="code" href="classsc_1_1Ref.html">Ref<KeyVal></a> &);
<a name="l00296"></a>00296 <a class="code" href="classsc_1_1LebedevLaikovIntegrator.html" title="An implementation of a Lebedev angular integrator.">LebedevLaikovIntegrator</a>(<a class="code" href="classsc_1_1StateIn.html" title="Restores objects that derive from SavableState.">StateIn</a> &);
<a name="l00297"></a>00297 <a class="code" href="classsc_1_1LebedevLaikovIntegrator.html" title="An implementation of a Lebedev angular integrator.">LebedevLaikovIntegrator</a>(<span class="keywordtype">int</span>);
<a name="l00298"></a>00298 ~<a class="code" href="classsc_1_1LebedevLaikovIntegrator.html" title="An implementation of a Lebedev angular integrator.">LebedevLaikovIntegrator</a>();
<a name="l00299"></a>00299 <span class="keywordtype">void</span> <a class="code" href="classsc_1_1LebedevLaikovIntegrator.html#7db5324fda07acc9439d220f2239629a" 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="l00300"></a>00300
<a name="l00301"></a>00301 <span class="keywordtype">int</span> nw(<span class="keywordtype">void</span>) <span class="keyword">const</span>;
<a name="l00302"></a>00302 <span class="keywordtype">int</span> num_angular_points(<span class="keywordtype">double</span> r_value, <span class="keywordtype">int</span> ir);
<a name="l00303"></a>00303 <span class="keywordtype">double</span> angular_point_cartesian(<span class="keywordtype">int</span> iangular, <span class="keywordtype">double</span> r,
<a name="l00304"></a>00304 SCVector3 &integration_point) <span class="keyword">const</span>;
<a name="l00305"></a>00305 <span class="keywordtype">void</span> <a class="code" href="classsc_1_1LebedevLaikovIntegrator.html#16607838bd4a7a00560b1cd1b8139d68" title="Print the object.">print</a>(std::ostream & =<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="l00306"></a>00306 };
<a name="l00307"></a>00307
<a name="l00310"></a><a class="code" href="classsc_1_1GaussLegendreAngularIntegrator.html">00310</a> <span class="keyword">class </span><a class="code" href="classsc_1_1GaussLegendreAngularIntegrator.html" title="An implementation of an angular integrator using the Gauss-Legendre weights and grid...">GaussLegendreAngularIntegrator</a>: <span class="keyword">public</span> <a class="code" href="classsc_1_1AngularIntegrator.html" title="An abstract base class for angular integrators.">AngularIntegrator</a> {
<a name="l00311"></a>00311 <span class="keyword">protected</span>:
<a name="l00312"></a>00312 <span class="keywordtype">int</span> ntheta_;
<a name="l00313"></a>00313 <span class="keywordtype">int</span> nphi_;
<a name="l00314"></a>00314 <span class="keywordtype">int</span> Ktheta_;
<a name="l00315"></a>00315 <span class="keywordtype">int</span> ntheta_r_;
<a name="l00316"></a>00316 <span class="keywordtype">int</span> nphi_r_;
<a name="l00317"></a>00317 <span class="keywordtype">int</span> Ktheta_r_;
<a name="l00318"></a>00318 <span class="keywordtype">double</span> *theta_quad_weights_;
<a name="l00319"></a>00319 <span class="keywordtype">double</span> *theta_quad_points_;
<a name="l00320"></a>00320
<a name="l00321"></a>00321 <span class="keywordtype">int</span> get_ntheta(<span class="keywordtype">void</span>) <span class="keyword">const</span>;
<a name="l00322"></a>00322 <span class="keywordtype">void</span> set_ntheta(<span class="keywordtype">int</span> i);
<a name="l00323"></a>00323 <span class="keywordtype">int</span> get_nphi(<span class="keywordtype">void</span>) <span class="keyword">const</span>;
<a name="l00324"></a>00324 <span class="keywordtype">void</span> set_nphi(<span class="keywordtype">int</span> i);
<a name="l00325"></a>00325 <span class="keywordtype">int</span> get_Ktheta(<span class="keywordtype">void</span>) <span class="keyword">const</span>;
<a name="l00326"></a>00326 <span class="keywordtype">void</span> set_Ktheta(<span class="keywordtype">int</span> i);
<a name="l00327"></a>00327 <span class="keywordtype">int</span> get_ntheta_r(<span class="keywordtype">void</span>) <span class="keyword">const</span>;
<a name="l00328"></a>00328 <span class="keywordtype">void</span> set_ntheta_r(<span class="keywordtype">int</span> i);
<a name="l00329"></a>00329 <span class="keywordtype">int</span> get_nphi_r(<span class="keywordtype">void</span>) <span class="keyword">const</span>;
<a name="l00330"></a>00330 <span class="keywordtype">void</span> set_nphi_r(<span class="keywordtype">int</span> i);
<a name="l00331"></a>00331 <span class="keywordtype">int</span> get_Ktheta_r(<span class="keywordtype">void</span>) <span class="keyword">const</span>;
<a name="l00332"></a>00332 <span class="keywordtype">void</span> set_Ktheta_r(<span class="keywordtype">int</span> i);
<a name="l00333"></a>00333 <span class="keywordtype">int</span> nw(<span class="keywordtype">void</span>) <span class="keyword">const</span>;
<a name="l00334"></a>00334 <span class="keywordtype">double</span> sin_theta(SCVector3 &point) <span class="keyword">const</span>;
<a name="l00335"></a>00335 <span class="keywordtype">void</span> gauleg(<span class="keywordtype">double</span> x1, <span class="keywordtype">double</span> x2, <span class="keywordtype">int</span> n);
<a name="l00336"></a>00336 <span class="keyword">public</span>:
<a name="l00337"></a>00337 <a class="code" href="classsc_1_1GaussLegendreAngularIntegrator.html" title="An implementation of an angular integrator using the Gauss-Legendre weights and grid...">GaussLegendreAngularIntegrator</a>();
<a name="l00344"></a>00344 <a class="code" href="classsc_1_1GaussLegendreAngularIntegrator.html" title="An implementation of an angular integrator using the Gauss-Legendre weights and grid...">GaussLegendreAngularIntegrator</a>(<span class="keyword">const</span> <a class="code" href="classsc_1_1Ref.html">Ref<KeyVal></a> &);
<a name="l00345"></a>00345 <a class="code" href="classsc_1_1GaussLegendreAngularIntegrator.html" title="An implementation of an angular integrator using the Gauss-Legendre weights and grid...">GaussLegendreAngularIntegrator</a>(<a class="code" href="classsc_1_1StateIn.html" title="Restores objects that derive from SavableState.">StateIn</a> &);
<a name="l00346"></a>00346 ~<a class="code" href="classsc_1_1GaussLegendreAngularIntegrator.html" title="An implementation of an angular integrator using the Gauss-Legendre weights and grid...">GaussLegendreAngularIntegrator</a>();
<a name="l00347"></a>00347 <span class="keywordtype">void</span> <a class="code" href="classsc_1_1GaussLegendreAngularIntegrator.html#0a9262f5d43f4ae109c0c15ef366f132" 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="l00348"></a>00348
<a name="l00349"></a>00349 <span class="keywordtype">int</span> num_angular_points(<span class="keywordtype">double</span> r_value, <span class="keywordtype">int</span> ir);
<a name="l00350"></a>00350 <span class="keywordtype">double</span> angular_point_cartesian(<span class="keywordtype">int</span> iangular, <span class="keywordtype">double</span> r,
<a name="l00351"></a>00351 SCVector3 &integration_point) <span class="keyword">const</span>;
<a name="l00352"></a>00352 <span class="keywordtype">void</span> <a class="code" href="classsc_1_1GaussLegendreAngularIntegrator.html#60be009602b8f39f0196908c847b9f4b" title="Print the object.">print</a>(std::ostream & =<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="l00353"></a>00353 };
<a name="l00354"></a>00354
<a name="l00357"></a><a class="code" href="classsc_1_1RadialAngularIntegrator.html">00357</a> <span class="keyword">class </span><a class="code" href="classsc_1_1RadialAngularIntegrator.html" title="An implementation of an integrator using any combination of a RadialIntegrator and...">RadialAngularIntegrator</a>: <span class="keyword">public</span> <a class="code" href="classsc_1_1DenIntegrator.html" title="An abstract base class for integrating the electron density.">DenIntegrator</a> {
<a name="l00358"></a>00358 <span class="keyword">private</span>:
<a name="l00359"></a>00359 <span class="keywordtype">int</span> prune_grid_;
<a name="l00360"></a>00360 <span class="keywordtype">double</span> **Alpha_coeffs_;
<a name="l00361"></a>00361 <span class="keywordtype">int</span> gridtype_;
<a name="l00362"></a>00362 <span class="keywordtype">int</span> **nr_points_, *xcoarse_l_;
<a name="l00363"></a>00363 <span class="keywordtype">int</span> npruned_partitions_;
<a name="l00364"></a>00364 <span class="keywordtype">double</span> *grid_accuracy_;
<a name="l00365"></a>00365 <span class="keywordtype">int</span> dynamic_grids_;
<a name="l00366"></a>00366 <span class="keywordtype">int</span> natomic_rows_;
<a name="l00367"></a>00367 <span class="keywordtype">int</span> max_gridtype_;
<a name="l00368"></a>00368 <span class="keyword">protected</span>:
<a name="l00369"></a>00369 <a class="code" href="classsc_1_1Ref.html">Ref<IntegrationWeight></a> weight_;
<a name="l00370"></a>00370 <a class="code" href="classsc_1_1Ref.html">Ref<RadialIntegrator></a> radial_user_;
<a name="l00371"></a>00371 <a class="code" href="classsc_1_1Ref.html">Ref<AngularIntegrator></a> angular_user_;
<a name="l00372"></a>00372 <a class="code" href="classsc_1_1Ref.html">Ref<AngularIntegrator></a> ***angular_grid_;
<a name="l00373"></a>00373 <a class="code" href="classsc_1_1Ref.html">Ref<RadialIntegrator></a> **radial_grid_;
<a name="l00374"></a>00374 <span class="keyword">public</span>:
<a name="l00375"></a>00375 <a class="code" href="classsc_1_1RadialAngularIntegrator.html" title="An implementation of an integrator using any combination of a RadialIntegrator and...">RadialAngularIntegrator</a>();
<a name="l00416"></a>00416 <a class="code" href="classsc_1_1RadialAngularIntegrator.html" title="An implementation of an integrator using any combination of a RadialIntegrator and...">RadialAngularIntegrator</a>(<span class="keyword">const</span> <a class="code" href="classsc_1_1Ref.html">Ref<KeyVal></a> &);
<a name="l00417"></a>00417 <a class="code" href="classsc_1_1RadialAngularIntegrator.html" title="An implementation of an integrator using any combination of a RadialIntegrator and...">RadialAngularIntegrator</a>(<a class="code" href="classsc_1_1StateIn.html" title="Restores objects that derive from SavableState.">StateIn</a> &);
<a name="l00418"></a>00418 ~<a class="code" href="classsc_1_1RadialAngularIntegrator.html" title="An implementation of an integrator using any combination of a RadialIntegrator and...">RadialAngularIntegrator</a>();
<a name="l00419"></a>00419 <span class="keywordtype">void</span> <a class="code" href="classsc_1_1RadialAngularIntegrator.html#f7c66061caddf075565161192dc6b65d" 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="l00420"></a>00420
<a name="l00421"></a>00421 <span class="keywordtype">void</span> <a class="code" href="classsc_1_1RadialAngularIntegrator.html#97976aa9f0d3be0f7bb382aa25838fd7" title="Performs the integration of the given functional using the given alpha and beta density...">integrate</a>(<span class="keyword">const</span> <a class="code" href="classsc_1_1Ref.html">Ref<DenFunctional></a> &,
<a name="l00422"></a>00422 <span class="keyword">const</span> <a class="code" href="classsc_1_1RefSymmSCMatrix.html" title="The RefSymmSCMatrix class is a smart pointer to an SCSymmSCMatrix specialization...">RefSymmSCMatrix</a>& densa =0,
<a name="l00423"></a>00423 <span class="keyword">const</span> <a class="code" href="classsc_1_1RefSymmSCMatrix.html" title="The RefSymmSCMatrix class is a smart pointer to an SCSymmSCMatrix specialization...">RefSymmSCMatrix</a>& densb =0,
<a name="l00424"></a>00424 <span class="keywordtype">double</span> *nuclear_gradient = 0);
<a name="l00425"></a>00425 <span class="keywordtype">void</span> <a class="code" href="classsc_1_1RadialAngularIntegrator.html#0dc6fd9fb58c51dfe16754aab7fe8904" title="Print the object.">print</a>(std::ostream & =<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="l00426"></a>00426 <a class="code" href="classsc_1_1AngularIntegrator.html" title="An abstract base class for angular integrators.">AngularIntegrator</a> *get_angular_grid(<span class="keywordtype">double</span> radius, <span class="keywordtype">double</span> atomic_radius,
<a name="l00427"></a>00427 <span class="keywordtype">int</span> charge, <span class="keywordtype">int</span> deriv_order);
<a name="l00428"></a>00428 <a class="code" href="classsc_1_1RadialIntegrator.html" title="An abstract base class for radial integrators.">RadialIntegrator</a> *get_radial_grid(<span class="keywordtype">int</span> charge, <span class="keywordtype">int</span> deriv_order);
<a name="l00429"></a>00429 <span class="keywordtype">void</span> init_default_grids(<span class="keywordtype">void</span>);
<a name="l00430"></a>00430 <span class="keywordtype">int</span> angular_grid_offset(<span class="keywordtype">int</span> i);
<a name="l00431"></a>00431 <span class="keywordtype">void</span> set_grids(<span class="keywordtype">void</span>);
<a name="l00432"></a>00432 <span class="keywordtype">int</span> get_atomic_row(<span class="keywordtype">int</span> i);
<a name="l00433"></a>00433 <span class="keywordtype">void</span> init_parameters(<span class="keywordtype">void</span>);
<a name="l00434"></a>00434 <span class="keywordtype">void</span> init_parameters(<span class="keyword">const</span> <a class="code" href="classsc_1_1Ref.html">Ref<KeyVal></a>& keyval);
<a name="l00435"></a>00435 <span class="keywordtype">void</span> init_pruning_coefficients(<span class="keyword">const</span> <a class="code" href="classsc_1_1Ref.html">Ref<KeyVal></a>& keyval);
<a name="l00436"></a>00436 <span class="keywordtype">void</span> init_pruning_coefficients(<span class="keywordtype">void</span>);
<a name="l00437"></a>00437 <span class="keywordtype">void</span> init_alpha_coefficients(<span class="keywordtype">void</span>);
<a name="l00438"></a>00438 <span class="keywordtype">int</span> select_dynamic_grid(<span class="keywordtype">void</span>);
<a name="l00439"></a>00439 <a class="code" href="classsc_1_1Ref.html">Ref<IntegrationWeight></a> weight() { <span class="keywordflow">return</span> weight_; }
<a name="l00440"></a>00440 };
<a name="l00441"></a>00441
<a name="l00442"></a>00442 }
<a name="l00443"></a>00443
<a name="l00444"></a>00444 <span class="preprocessor">#endif</span>
<a name="l00445"></a>00445 <span class="preprocessor"></span>
<a name="l00446"></a>00446 <span class="comment">// Local Variables:</span>
<a name="l00447"></a>00447 <span class="comment">// mode: c++</span>
<a name="l00448"></a>00448 <span class="comment">// c-file-style: "CLJ"</span>
<a name="l00449"></a>00449 <span class="comment">// End:</span>
</pre></div></div>
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distrib
>
Mandriva
>
2010.0
>
i586
>
media
>
contrib-release
>
by-pkgid
>
247b28499c443e092731ffba814075f2
>
files
>
1150
