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<a href="GaussianQuadratureBase_8h.html">Go to the documentation of this file.</a><div class="fragment"><div class="line"><a id="l00001" name="l00001"></a><span class="lineno"> 1</span><span class="comment">/*</span></div>
<div class="line"><a id="l00002" name="l00002"></a><span class="lineno"> 2</span><span class="comment"> * Copyright 2009-2020 The VOTCA Development Team</span></div>
<div class="line"><a id="l00003" name="l00003"></a><span class="lineno"> 3</span><span class="comment"> * (http://www.votca.org)</span></div>
<div class="line"><a id="l00004" name="l00004"></a><span class="lineno"> 4</span><span class="comment"> *</span></div>
<div class="line"><a id="l00005" name="l00005"></a><span class="lineno"> 5</span><span class="comment"> * Licensed under the Apache License, Version 2.0 (the "License")</span></div>
<div class="line"><a id="l00006" name="l00006"></a><span class="lineno"> 6</span><span class="comment"> *</span></div>
<div class="line"><a id="l00007" name="l00007"></a><span class="lineno"> 7</span><span class="comment"> * You may not use this file except in compliance with the License.</span></div>
<div class="line"><a id="l00008" name="l00008"></a><span class="lineno"> 8</span><span class="comment"> * You may obtain a copy of the License at</span></div>
<div class="line"><a id="l00009" name="l00009"></a><span class="lineno"> 9</span><span class="comment"> *</span></div>
<div class="line"><a id="l00010" name="l00010"></a><span class="lineno"> 10</span><span class="comment"> * http://www.apache.org/licenses/LICENSE-2.0</span></div>
<div class="line"><a id="l00011" name="l00011"></a><span class="lineno"> 11</span><span class="comment"> *</span></div>
<div class="line"><a id="l00012" name="l00012"></a><span class="lineno"> 12</span><span class="comment"> * Unless required by applicable law or agreed to in writing, software</span></div>
<div class="line"><a id="l00013" name="l00013"></a><span class="lineno"> 13</span><span class="comment"> * distributed under the License is distributed on an "AS IS" BASIS,</span></div>
<div class="line"><a id="l00014" name="l00014"></a><span class="lineno"> 14</span><span class="comment"> * WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied.</span></div>
<div class="line"><a id="l00015" name="l00015"></a><span class="lineno"> 15</span><span class="comment"> * See the License for the specific language governing permissions and</span></div>
<div class="line"><a id="l00016" name="l00016"></a><span class="lineno"> 16</span><span class="comment"> * limitations under the License.</span></div>
<div class="line"><a id="l00017" name="l00017"></a><span class="lineno"> 17</span><span class="comment"> *</span></div>
<div class="line"><a id="l00018" name="l00018"></a><span class="lineno"> 18</span><span class="comment"> */</span></div>
<div class="line"><a id="l00019" name="l00019"></a><span class="lineno"> 19</span> </div>
<div class="line"><a id="l00020" name="l00020"></a><span class="lineno"> 20</span><span class="preprocessor">#pragma once</span></div>
<div class="line"><a id="l00021" name="l00021"></a><span class="lineno"> 21</span> </div>
<div class="line"><a id="l00022" name="l00022"></a><span class="lineno"> 22</span><span class="preprocessor">#ifndef VOTCA_XTP_GAUSSIANQUADRATUREBASE_H</span></div>
<div class="line"><a id="l00023" name="l00023"></a><span class="lineno"><a class="line" href="GaussianQuadratureBase_8h.html#a267bbfcfff47db9369357a15d7c273ad"> 23</a></span><span class="preprocessor">#define VOTCA_XTP_GAUSSIANQUADRATUREBASE_H</span></div>
<div class="line"><a id="l00024" name="l00024"></a><span class="lineno"> 24</span> </div>
<div class="line"><a id="l00025" name="l00025"></a><span class="lineno"> 25</span><span class="comment">// Local VOTCA includes</span></div>
<div class="line"><a id="l00026" name="l00026"></a><span class="lineno"> 26</span><span class="preprocessor">#include "<a class="code" href="xtp_2include_2votca_2xtp_2eigen_8h.html">eigen.h</a>"</span></div>
<div class="line"><a id="l00027" name="l00027"></a><span class="lineno"> 27</span><span class="preprocessor">#include <<a class="code" href="constants_8h.html">votca/tools/constants.h</a>></span></div>
<div class="line"><a id="l00028" name="l00028"></a><span class="lineno"> 28</span> </div>
<div class="line"><a id="l00029" name="l00029"></a><span class="lineno"> 29</span><span class="keyword">namespace </span><a class="code hl_namespace" href="namespacevotca.html">votca</a> {</div>
<div class="line"><a id="l00030" name="l00030"></a><span class="lineno"> 30</span><span class="keyword">namespace </span>xtp {</div>
<div class="line"><a id="l00031" name="l00031"></a><span class="lineno"> 31</span> </div>
<div class="foldopen" id="foldopen00032" data-start="{" data-end="};">
<div class="line"><a id="l00032" name="l00032"></a><span class="lineno"><a class="line" href="classvotca_1_1xtp_1_1GaussianQuadratureBase.html"> 32</a></span><span class="keyword">class </span><a class="code hl_class" href="classvotca_1_1xtp_1_1GaussianQuadratureBase.html">GaussianQuadratureBase</a> {</div>
<div class="line"><a id="l00033" name="l00033"></a><span class="lineno"> 33</span> <span class="keyword">public</span>:</div>
<div class="line"><a id="l00034" name="l00034"></a><span class="lineno"><a class="line" href="classvotca_1_1xtp_1_1GaussianQuadratureBase.html#ade8e37f1fafa7e24d6099429b0d758b0"> 34</a></span> <a class="code hl_function" href="classvotca_1_1xtp_1_1GaussianQuadratureBase.html#ade8e37f1fafa7e24d6099429b0d758b0">GaussianQuadratureBase</a>() = <span class="keywordflow">default</span>;</div>
<div class="line"><a id="l00035" name="l00035"></a><span class="lineno"> 35</span> </div>
<div class="foldopen" id="foldopen00036" data-start="{" data-end="}">
<div class="line"><a id="l00036" name="l00036"></a><span class="lineno"><a class="line" href="classvotca_1_1xtp_1_1GaussianQuadratureBase.html#ae81c7b645bf17e57c489f77144715980"> 36</a></span> <span class="keywordtype">void</span> <a class="code hl_function" href="classvotca_1_1xtp_1_1GaussianQuadratureBase.html#ae81c7b645bf17e57c489f77144715980">configure</a>(<a class="code hl_typedef" href="namespacevotca.html#a947412fbe82041cb9f5ec8dfd56d67b1">Index</a> order) {</div>
<div class="line"><a id="l00037" name="l00037"></a><span class="lineno"> 37</span> <a class="code hl_function" href="classvotca_1_1xtp_1_1GaussianQuadratureBase.html#a6a5ec4a638d12025e8065266ea0277c8">FillPoints</a>();</div>
<div class="line"><a id="l00038" name="l00038"></a><span class="lineno"> 38</span> <a class="code hl_function" href="classvotca_1_1xtp_1_1GaussianQuadratureBase.html#affdf4cb2ef834c9fa6540e24e4775047">FillAdaptedWeights</a>();</div>
<div class="line"><a id="l00039" name="l00039"></a><span class="lineno"> 39</span> <a class="code hl_function" href="classvotca_1_1xtp_1_1GaussianQuadratureBase.html#abbd49433ba9594d954a0af5b8e0bb8f5">CheckOrder</a>(order, <a class="code hl_variable" href="classvotca_1_1xtp_1_1GaussianQuadratureBase.html#a0ced855f6dcea6507ba7b383c6fc62bf">map_points_</a>);</div>
<div class="line"><a id="l00040" name="l00040"></a><span class="lineno"> 40</span> <a class="code hl_function" href="classvotca_1_1xtp_1_1GaussianQuadratureBase.html#abbd49433ba9594d954a0af5b8e0bb8f5">CheckOrder</a>(order, <a class="code hl_variable" href="classvotca_1_1xtp_1_1GaussianQuadratureBase.html#a394c0dc306c14da9ca63c02d81642064">map_AdaptedWeights_</a>);</div>
<div class="line"><a id="l00041" name="l00041"></a><span class="lineno"> 41</span> <a class="code hl_variable" href="classvotca_1_1xtp_1_1GaussianQuadratureBase.html#a587be5f33bb68cb0d9c5419736d2dcb5">points_</a> = <a class="code hl_variable" href="classvotca_1_1xtp_1_1GaussianQuadratureBase.html#a0ced855f6dcea6507ba7b383c6fc62bf">map_points_</a>[order];</div>
<div class="line"><a id="l00042" name="l00042"></a><span class="lineno"> 42</span> <a class="code hl_variable" href="classvotca_1_1xtp_1_1GaussianQuadratureBase.html#ae7c95ffc6331fbe5c31446afc4f452c9">weights_</a> = <a class="code hl_variable" href="classvotca_1_1xtp_1_1GaussianQuadratureBase.html#a394c0dc306c14da9ca63c02d81642064">map_AdaptedWeights_</a>[order];</div>
<div class="line"><a id="l00043" name="l00043"></a><span class="lineno"> 43</span> }</div>
</div>
<div class="line"><a id="l00044" name="l00044"></a><span class="lineno"> 44</span> </div>
<div class="line"><a id="l00045" name="l00045"></a><span class="lineno"><a class="line" href="classvotca_1_1xtp_1_1GaussianQuadratureBase.html#a46c3b153e1c4060f0a1f7a2f7c323047"> 45</a></span> <span class="keyword">virtual</span> <a class="code hl_function" href="classvotca_1_1xtp_1_1GaussianQuadratureBase.html#a46c3b153e1c4060f0a1f7a2f7c323047">~GaussianQuadratureBase</a>() = <span class="keywordflow">default</span>;</div>
<div class="line"><a id="l00046" name="l00046"></a><span class="lineno"> 46</span> </div>
<div class="line"><a id="l00047" name="l00047"></a><span class="lineno"><a class="line" href="classvotca_1_1xtp_1_1GaussianQuadratureBase.html#add3469ae4d56aae98731b02d9b4b0c6e"> 47</a></span> <a class="code hl_typedef" href="namespacevotca.html#a947412fbe82041cb9f5ec8dfd56d67b1">Index</a> <a class="code hl_function" href="classvotca_1_1xtp_1_1GaussianQuadratureBase.html#add3469ae4d56aae98731b02d9b4b0c6e">Order</a>()<span class="keyword"> const </span>{ <span class="keywordflow">return</span> <a class="code hl_variable" href="classvotca_1_1xtp_1_1GaussianQuadratureBase.html#a587be5f33bb68cb0d9c5419736d2dcb5">points_</a>.size(); }</div>
<div class="line"><a id="l00048" name="l00048"></a><span class="lineno"> 48</span> </div>
<div class="line"><a id="l00049" name="l00049"></a><span class="lineno"> 49</span> <span class="keyword">template</span> <<span class="keyword">typename</span> F></div>
<div class="foldopen" id="foldopen00050" data-start="{" data-end="}">
<div class="line"><a id="l00050" name="l00050"></a><span class="lineno"><a class="line" href="classvotca_1_1xtp_1_1GaussianQuadratureBase.html#a68fa6f1d87697940a9728df009392f75"> 50</a></span> <span class="keywordtype">double</span> <a class="code hl_function" href="classvotca_1_1xtp_1_1GaussianQuadratureBase.html#a68fa6f1d87697940a9728df009392f75">Integrate</a>(<span class="keyword">const</span> <a class="code hl_enumvalue" href="namespacevotca_1_1xtp.html#a7336351adc1e9d22c930eb40921bd17da800618943025315f869e4e1f09471012">F</a>& f)<span class="keyword"> const </span>{</div>
<div class="line"><a id="l00051" name="l00051"></a><span class="lineno"> 51</span> <span class="keywordtype">double</span> result = 0.0;</div>
<div class="line"><a id="l00052" name="l00052"></a><span class="lineno"> 52</span> <span class="keywordflow">for</span> (<a class="code hl_typedef" href="namespacevotca.html#a947412fbe82041cb9f5ec8dfd56d67b1">Index</a> j = 0; j < <a class="code hl_function" href="classvotca_1_1xtp_1_1GaussianQuadratureBase.html#add3469ae4d56aae98731b02d9b4b0c6e">Order</a>(); ++j) {</div>
<div class="line"><a id="l00053" name="l00053"></a><span class="lineno"> 53</span> result += <a class="code hl_function" href="classvotca_1_1xtp_1_1GaussianQuadratureBase.html#ae085be41c627ca5619c55aafd49dbd19">ScaledWeight</a>(j) * f(j, <a class="code hl_function" href="classvotca_1_1xtp_1_1GaussianQuadratureBase.html#abdb5a34ae3a640913d8995da7ce7f386">ScaledPoint</a>(j), <a class="code hl_function" href="classvotca_1_1xtp_1_1GaussianQuadratureBase.html#af1bfed18e4d91e37a0e50d8aef27b173">UseSymmetry</a>());</div>
<div class="line"><a id="l00054" name="l00054"></a><span class="lineno"> 54</span> }</div>
<div class="line"><a id="l00055" name="l00055"></a><span class="lineno"> 55</span> <span class="keywordflow">return</span> result;</div>
<div class="line"><a id="l00056" name="l00056"></a><span class="lineno"> 56</span> }</div>
</div>
<div class="line"><a id="l00057" name="l00057"></a><span class="lineno"><a class="line" href="classvotca_1_1xtp_1_1GaussianQuadratureBase.html#abdb5a34ae3a640913d8995da7ce7f386"> 57</a></span> <span class="keyword">virtual</span> <span class="keywordtype">double</span> <a class="code hl_function" href="classvotca_1_1xtp_1_1GaussianQuadratureBase.html#abdb5a34ae3a640913d8995da7ce7f386">ScaledPoint</a>(<a class="code hl_typedef" href="namespacevotca.html#a947412fbe82041cb9f5ec8dfd56d67b1">Index</a> i) <span class="keyword">const</span> = 0;</div>
<div class="line"><a id="l00058" name="l00058"></a><span class="lineno"> 58</span> </div>
<div class="line"><a id="l00059" name="l00059"></a><span class="lineno"><a class="line" href="classvotca_1_1xtp_1_1GaussianQuadratureBase.html#ae085be41c627ca5619c55aafd49dbd19"> 59</a></span> <span class="keyword">virtual</span> <span class="keywordtype">double</span> <a class="code hl_function" href="classvotca_1_1xtp_1_1GaussianQuadratureBase.html#ae085be41c627ca5619c55aafd49dbd19">ScaledWeight</a>(<a class="code hl_typedef" href="namespacevotca.html#a947412fbe82041cb9f5ec8dfd56d67b1">Index</a> i) <span class="keyword">const</span> = 0;</div>
<div class="line"><a id="l00060" name="l00060"></a><span class="lineno"> 60</span> </div>
<div class="line"><a id="l00061" name="l00061"></a><span class="lineno"> 61</span> <span class="keyword">private</span>:</div>
<div class="line"><a id="l00062" name="l00062"></a><span class="lineno"> 62</span> <span class="keywordtype">void</span> <a class="code hl_function" href="classvotca_1_1xtp_1_1GaussianQuadratureBase.html#abbd49433ba9594d954a0af5b8e0bb8f5">CheckOrder</a>(<a class="code hl_typedef" href="namespacevotca.html#a947412fbe82041cb9f5ec8dfd56d67b1">Index</a> order,</div>
<div class="line"><a id="l00063" name="l00063"></a><span class="lineno"> 63</span> <span class="keyword">const</span> std::map<Index, Eigen::VectorXd>& map) <span class="keyword">const</span>;</div>
<div class="line"><a id="l00064" name="l00064"></a><span class="lineno"> 64</span> </div>
<div class="line"><a id="l00065" name="l00065"></a><span class="lineno"> 65</span> <span class="keyword">protected</span>:</div>
<div class="line"><a id="l00066" name="l00066"></a><span class="lineno"><a class="line" href="classvotca_1_1xtp_1_1GaussianQuadratureBase.html#a587be5f33bb68cb0d9c5419736d2dcb5"> 66</a></span> Eigen::VectorXd <a class="code hl_variable" href="classvotca_1_1xtp_1_1GaussianQuadratureBase.html#a587be5f33bb68cb0d9c5419736d2dcb5">points_</a>;</div>
<div class="line"><a id="l00067" name="l00067"></a><span class="lineno"><a class="line" href="classvotca_1_1xtp_1_1GaussianQuadratureBase.html#ae7c95ffc6331fbe5c31446afc4f452c9"> 67</a></span> Eigen::VectorXd <a class="code hl_variable" href="classvotca_1_1xtp_1_1GaussianQuadratureBase.html#ae7c95ffc6331fbe5c31446afc4f452c9">weights_</a>;</div>
<div class="line"><a id="l00068" name="l00068"></a><span class="lineno"> 68</span> </div>
<div class="line"><a id="l00069" name="l00069"></a><span class="lineno"><a class="line" href="classvotca_1_1xtp_1_1GaussianQuadratureBase.html#a0ced855f6dcea6507ba7b383c6fc62bf"> 69</a></span> std::map<Index, Eigen::VectorXd> <a class="code hl_variable" href="classvotca_1_1xtp_1_1GaussianQuadratureBase.html#a0ced855f6dcea6507ba7b383c6fc62bf">map_points_</a>;</div>
<div class="line"><a id="l00070" name="l00070"></a><span class="lineno"><a class="line" href="classvotca_1_1xtp_1_1GaussianQuadratureBase.html#a394c0dc306c14da9ca63c02d81642064"> 70</a></span> std::map<Index, Eigen::VectorXd> <a class="code hl_variable" href="classvotca_1_1xtp_1_1GaussianQuadratureBase.html#a394c0dc306c14da9ca63c02d81642064">map_AdaptedWeights_</a>;</div>
<div class="line"><a id="l00071" name="l00071"></a><span class="lineno"> 71</span> </div>
<div class="line"><a id="l00072" name="l00072"></a><span class="lineno"><a class="line" href="classvotca_1_1xtp_1_1GaussianQuadratureBase.html#af1bfed18e4d91e37a0e50d8aef27b173"> 72</a></span> <span class="keyword">virtual</span> <span class="keywordtype">bool</span> <a class="code hl_function" href="classvotca_1_1xtp_1_1GaussianQuadratureBase.html#af1bfed18e4d91e37a0e50d8aef27b173">UseSymmetry</a>() <span class="keyword">const</span> = 0;</div>
<div class="line"><a id="l00073" name="l00073"></a><span class="lineno"> 73</span> </div>
<div class="line"><a id="l00074" name="l00074"></a><span class="lineno"><a class="line" href="classvotca_1_1xtp_1_1GaussianQuadratureBase.html#a6a5ec4a638d12025e8065266ea0277c8"> 74</a></span> <span class="keyword">virtual</span> <span class="keywordtype">void</span> <a class="code hl_function" href="classvotca_1_1xtp_1_1GaussianQuadratureBase.html#a6a5ec4a638d12025e8065266ea0277c8">FillPoints</a>() = 0;</div>
<div class="line"><a id="l00075" name="l00075"></a><span class="lineno"><a class="line" href="classvotca_1_1xtp_1_1GaussianQuadratureBase.html#affdf4cb2ef834c9fa6540e24e4775047"> 75</a></span> <span class="keyword">virtual</span> <span class="keywordtype">void</span> <a class="code hl_function" href="classvotca_1_1xtp_1_1GaussianQuadratureBase.html#affdf4cb2ef834c9fa6540e24e4775047">FillAdaptedWeights</a>() = 0;</div>
<div class="line"><a id="l00076" name="l00076"></a><span class="lineno"> 76</span>};</div>
</div>
<div class="line"><a id="l00077" name="l00077"></a><span class="lineno"> 77</span> </div>
<div class="line"><a id="l00078" name="l00078"></a><span class="lineno"> 78</span>} <span class="comment">// namespace xtp</span></div>
<div class="line"><a id="l00079" name="l00079"></a><span class="lineno"> 79</span>} <span class="comment">// namespace votca</span></div>
<div class="line"><a id="l00080" name="l00080"></a><span class="lineno"> 80</span> </div>
<div class="line"><a id="l00081" name="l00081"></a><span class="lineno"> 81</span><span class="preprocessor">#endif </span><span class="comment">// VOTCA_XTP_GAUSSIANQUADRATUREBASE_H</span></div>
<div class="ttc" id="aclassvotca_1_1xtp_1_1GaussianQuadratureBase_html"><div class="ttname"><a href="classvotca_1_1xtp_1_1GaussianQuadratureBase.html">votca::xtp::GaussianQuadratureBase</a></div><div class="ttdef"><b>Definition</b> <a href="#l00032">GaussianQuadratureBase.h:32</a></div></div>
<div class="ttc" id="aclassvotca_1_1xtp_1_1GaussianQuadratureBase_html_a0ced855f6dcea6507ba7b383c6fc62bf"><div class="ttname"><a href="classvotca_1_1xtp_1_1GaussianQuadratureBase.html#a0ced855f6dcea6507ba7b383c6fc62bf">votca::xtp::GaussianQuadratureBase::map_points_</a></div><div class="ttdeci">std::map< Index, Eigen::VectorXd > map_points_</div><div class="ttdef"><b>Definition</b> <a href="#l00069">GaussianQuadratureBase.h:69</a></div></div>
<div class="ttc" id="aclassvotca_1_1xtp_1_1GaussianQuadratureBase_html_a394c0dc306c14da9ca63c02d81642064"><div class="ttname"><a href="classvotca_1_1xtp_1_1GaussianQuadratureBase.html#a394c0dc306c14da9ca63c02d81642064">votca::xtp::GaussianQuadratureBase::map_AdaptedWeights_</a></div><div class="ttdeci">std::map< Index, Eigen::VectorXd > map_AdaptedWeights_</div><div class="ttdef"><b>Definition</b> <a href="#l00070">GaussianQuadratureBase.h:70</a></div></div>
<div class="ttc" id="aclassvotca_1_1xtp_1_1GaussianQuadratureBase_html_a46c3b153e1c4060f0a1f7a2f7c323047"><div class="ttname"><a href="classvotca_1_1xtp_1_1GaussianQuadratureBase.html#a46c3b153e1c4060f0a1f7a2f7c323047">votca::xtp::GaussianQuadratureBase::~GaussianQuadratureBase</a></div><div class="ttdeci">virtual ~GaussianQuadratureBase()=default</div></div>
<div class="ttc" id="aclassvotca_1_1xtp_1_1GaussianQuadratureBase_html_a587be5f33bb68cb0d9c5419736d2dcb5"><div class="ttname"><a href="classvotca_1_1xtp_1_1GaussianQuadratureBase.html#a587be5f33bb68cb0d9c5419736d2dcb5">votca::xtp::GaussianQuadratureBase::points_</a></div><div class="ttdeci">Eigen::VectorXd points_</div><div class="ttdef"><b>Definition</b> <a href="#l00066">GaussianQuadratureBase.h:66</a></div></div>
<div class="ttc" id="aclassvotca_1_1xtp_1_1GaussianQuadratureBase_html_a68fa6f1d87697940a9728df009392f75"><div class="ttname"><a href="classvotca_1_1xtp_1_1GaussianQuadratureBase.html#a68fa6f1d87697940a9728df009392f75">votca::xtp::GaussianQuadratureBase::Integrate</a></div><div class="ttdeci">double Integrate(const F &f) const</div><div class="ttdef"><b>Definition</b> <a href="#l00050">GaussianQuadratureBase.h:50</a></div></div>
<div class="ttc" id="aclassvotca_1_1xtp_1_1GaussianQuadratureBase_html_a6a5ec4a638d12025e8065266ea0277c8"><div class="ttname"><a href="classvotca_1_1xtp_1_1GaussianQuadratureBase.html#a6a5ec4a638d12025e8065266ea0277c8">votca::xtp::GaussianQuadratureBase::FillPoints</a></div><div class="ttdeci">virtual void FillPoints()=0</div></div>
<div class="ttc" id="aclassvotca_1_1xtp_1_1GaussianQuadratureBase_html_abbd49433ba9594d954a0af5b8e0bb8f5"><div class="ttname"><a href="classvotca_1_1xtp_1_1GaussianQuadratureBase.html#abbd49433ba9594d954a0af5b8e0bb8f5">votca::xtp::GaussianQuadratureBase::CheckOrder</a></div><div class="ttdeci">void CheckOrder(Index order, const std::map< Index, Eigen::VectorXd > &map) const</div><div class="ttdef"><b>Definition</b> <a href="GaussianQuadratureBase_8cc_source.html#l00025">GaussianQuadratureBase.cc:25</a></div></div>
<div class="ttc" id="aclassvotca_1_1xtp_1_1GaussianQuadratureBase_html_abdb5a34ae3a640913d8995da7ce7f386"><div class="ttname"><a href="classvotca_1_1xtp_1_1GaussianQuadratureBase.html#abdb5a34ae3a640913d8995da7ce7f386">votca::xtp::GaussianQuadratureBase::ScaledPoint</a></div><div class="ttdeci">virtual double ScaledPoint(Index i) const =0</div></div>
<div class="ttc" id="aclassvotca_1_1xtp_1_1GaussianQuadratureBase_html_add3469ae4d56aae98731b02d9b4b0c6e"><div class="ttname"><a href="classvotca_1_1xtp_1_1GaussianQuadratureBase.html#add3469ae4d56aae98731b02d9b4b0c6e">votca::xtp::GaussianQuadratureBase::Order</a></div><div class="ttdeci">Index Order() const</div><div class="ttdef"><b>Definition</b> <a href="#l00047">GaussianQuadratureBase.h:47</a></div></div>
<div class="ttc" id="aclassvotca_1_1xtp_1_1GaussianQuadratureBase_html_ade8e37f1fafa7e24d6099429b0d758b0"><div class="ttname"><a href="classvotca_1_1xtp_1_1GaussianQuadratureBase.html#ade8e37f1fafa7e24d6099429b0d758b0">votca::xtp::GaussianQuadratureBase::GaussianQuadratureBase</a></div><div class="ttdeci">GaussianQuadratureBase()=default</div></div>
<div class="ttc" id="aclassvotca_1_1xtp_1_1GaussianQuadratureBase_html_ae085be41c627ca5619c55aafd49dbd19"><div class="ttname"><a href="classvotca_1_1xtp_1_1GaussianQuadratureBase.html#ae085be41c627ca5619c55aafd49dbd19">votca::xtp::GaussianQuadratureBase::ScaledWeight</a></div><div class="ttdeci">virtual double ScaledWeight(Index i) const =0</div></div>
<div class="ttc" id="aclassvotca_1_1xtp_1_1GaussianQuadratureBase_html_ae7c95ffc6331fbe5c31446afc4f452c9"><div class="ttname"><a href="classvotca_1_1xtp_1_1GaussianQuadratureBase.html#ae7c95ffc6331fbe5c31446afc4f452c9">votca::xtp::GaussianQuadratureBase::weights_</a></div><div class="ttdeci">Eigen::VectorXd weights_</div><div class="ttdef"><b>Definition</b> <a href="#l00067">GaussianQuadratureBase.h:67</a></div></div>
<div class="ttc" id="aclassvotca_1_1xtp_1_1GaussianQuadratureBase_html_ae81c7b645bf17e57c489f77144715980"><div class="ttname"><a href="classvotca_1_1xtp_1_1GaussianQuadratureBase.html#ae81c7b645bf17e57c489f77144715980">votca::xtp::GaussianQuadratureBase::configure</a></div><div class="ttdeci">void configure(Index order)</div><div class="ttdef"><b>Definition</b> <a href="#l00036">GaussianQuadratureBase.h:36</a></div></div>
<div class="ttc" id="aclassvotca_1_1xtp_1_1GaussianQuadratureBase_html_af1bfed18e4d91e37a0e50d8aef27b173"><div class="ttname"><a href="classvotca_1_1xtp_1_1GaussianQuadratureBase.html#af1bfed18e4d91e37a0e50d8aef27b173">votca::xtp::GaussianQuadratureBase::UseSymmetry</a></div><div class="ttdeci">virtual bool UseSymmetry() const =0</div></div>
<div class="ttc" id="aclassvotca_1_1xtp_1_1GaussianQuadratureBase_html_affdf4cb2ef834c9fa6540e24e4775047"><div class="ttname"><a href="classvotca_1_1xtp_1_1GaussianQuadratureBase.html#affdf4cb2ef834c9fa6540e24e4775047">votca::xtp::GaussianQuadratureBase::FillAdaptedWeights</a></div><div class="ttdeci">virtual void FillAdaptedWeights()=0</div></div>
<div class="ttc" id="aconstants_8h_html"><div class="ttname"><a href="constants_8h.html">constants.h</a></div></div>
<div class="ttc" id="anamespacevotca_1_1xtp_html_a7336351adc1e9d22c930eb40921bd17da800618943025315f869e4e1f09471012"><div class="ttname"><a href="namespacevotca_1_1xtp.html#a7336351adc1e9d22c930eb40921bd17da800618943025315f869e4e1f09471012">votca::xtp::L::F</a></div><div class="ttdeci">@ F</div></div>
<div class="ttc" id="anamespacevotca_html"><div class="ttname"><a href="namespacevotca.html">votca</a></div><div class="ttdoc">base class for all analysis tools</div><div class="ttdef"><b>Definition</b> <a href="basebead_8h_source.html#l00033">basebead.h:33</a></div></div>
<div class="ttc" id="anamespacevotca_html_a947412fbe82041cb9f5ec8dfd56d67b1"><div class="ttname"><a href="namespacevotca.html#a947412fbe82041cb9f5ec8dfd56d67b1">votca::Index</a></div><div class="ttdeci">Eigen::Index Index</div><div class="ttdef"><b>Definition</b> <a href="types_8h_source.html#l00026">types.h:26</a></div></div>
<div class="ttc" id="axtp_2include_2votca_2xtp_2eigen_8h_html"><div class="ttname"><a href="xtp_2include_2votca_2xtp_2eigen_8h.html">eigen.h</a></div></div>
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