docs(docs): added extensive docs
This commit is contained in:
@@ -114,121 +114,121 @@ $(function(){initNavTree('screening__weak_8h_source.html',''); initResizable(tru
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<div class="line"><a id="l00010" name="l00010"></a><span class="lineno"> 10</span><span class="preprocessor">#include "cppad/cppad.hpp"</span></div>
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<div class="line"><a id="l00011" name="l00011"></a><span class="lineno"> 11</span> </div>
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<div class="line"><a id="l00012" name="l00012"></a><span class="lineno"> 12</span><span class="keyword">namespace </span><a class="code hl_namespace" href="namespacegridfire_1_1screening.html">gridfire::screening</a> {</div>
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<div class="foldopen" id="foldopen00013" data-start="{" data-end="};">
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<div class="line"><a id="l00013" name="l00013"></a><span class="lineno"><a class="line" href="classgridfire_1_1screening_1_1_weak_screening_model.html"> 13</a></span> <span class="keyword">class </span><a class="code hl_class" href="classgridfire_1_1screening_1_1_weak_screening_model.html">WeakScreeningModel</a> final : <span class="keyword">public</span> <a class="code hl_class" href="classgridfire_1_1screening_1_1_screening_model.html">ScreeningModel</a> {</div>
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<div class="line"><a id="l00014" name="l00014"></a><span class="lineno"> 14</span> <span class="keyword">public</span>:</div>
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<div class="line"><a id="l00015" name="l00015"></a><span class="lineno"> 15</span> [[nodiscard]] std::vector<double> <a class="code hl_function" href="classgridfire_1_1screening_1_1_weak_screening_model.html#afbaeaefe6b3ab3ecf81889ddc1cff76c">calculateScreeningFactors</a>(</div>
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<div class="line"><a id="l00016" name="l00016"></a><span class="lineno"> 16</span> <span class="keyword">const</span> <a class="code hl_typedef" href="namespacegridfire_1_1reaction.html#aa86f08712565f278adacc7cd2361eb31">reaction::LogicalReactionSet</a>& reactions,</div>
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<div class="line"><a id="l00017" name="l00017"></a><span class="lineno"> 17</span> <span class="keyword">const</span> std::vector<fourdst::atomic::Species>& species,</div>
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<div class="line"><a id="l00018" name="l00018"></a><span class="lineno"> 18</span> <span class="keyword">const</span> std::vector<double>& Y,</div>
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<div class="line"><a id="l00019" name="l00019"></a><span class="lineno"> 19</span> <span class="keyword">const</span> <span class="keywordtype">double</span> T9,</div>
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<div class="line"><a id="l00020" name="l00020"></a><span class="lineno"> 20</span> <span class="keyword">const</span> <span class="keywordtype">double</span> rho</div>
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<div class="line"><a id="l00021" name="l00021"></a><span class="lineno"> 21</span> ) <span class="keyword">const override</span>;</div>
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<div class="line"><a id="l00022" name="l00022"></a><span class="lineno"> 22</span> </div>
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<div class="line"><a id="l00023" name="l00023"></a><span class="lineno"> 23</span> [[nodiscard]] std::vector<CppAD::AD<double>> <a class="code hl_function" href="classgridfire_1_1screening_1_1_weak_screening_model.html#afbaeaefe6b3ab3ecf81889ddc1cff76c">calculateScreeningFactors</a>(</div>
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<div class="line"><a id="l00024" name="l00024"></a><span class="lineno"> 24</span> <span class="keyword">const</span> <a class="code hl_typedef" href="namespacegridfire_1_1reaction.html#aa86f08712565f278adacc7cd2361eb31">reaction::LogicalReactionSet</a>& reactions,</div>
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<div class="line"><a id="l00025" name="l00025"></a><span class="lineno"> 25</span> <span class="keyword">const</span> std::vector<fourdst::atomic::Species>& species,</div>
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<div class="line"><a id="l00026" name="l00026"></a><span class="lineno"> 26</span> <span class="keyword">const</span> std::vector<CppAD::AD<double>>& Y,</div>
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<div class="line"><a id="l00027" name="l00027"></a><span class="lineno"> 27</span> <span class="keyword">const</span> CppAD::AD<double> T9,</div>
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<div class="line"><a id="l00028" name="l00028"></a><span class="lineno"> 28</span> <span class="keyword">const</span> CppAD::AD<double> rho</div>
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<div class="line"><a id="l00029" name="l00029"></a><span class="lineno"> 29</span> ) <span class="keyword">const override</span>;</div>
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<div class="line"><a id="l00030" name="l00030"></a><span class="lineno"> 30</span> <span class="keyword">private</span>:</div>
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<div class="line"><a id="l00031" name="l00031"></a><span class="lineno"><a class="line" href="classgridfire_1_1screening_1_1_weak_screening_model.html#a0a4d7d6d36dbe7b764b613d34f18386f"> 31</a></span> quill::Logger* <a class="code hl_variable" href="classgridfire_1_1screening_1_1_weak_screening_model.html#a0a4d7d6d36dbe7b764b613d34f18386f">m_logger</a> = fourdst::logging::LogManager::getInstance().getLogger(<span class="stringliteral">"log"</span>);</div>
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<div class="line"><a id="l00032" name="l00032"></a><span class="lineno"> 32</span> </div>
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<div class="line"><a id="l00033" name="l00033"></a><span class="lineno"> 33</span> <span class="keyword">private</span>:</div>
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<div class="line"><a id="l00034" name="l00034"></a><span class="lineno"> 34</span> <span class="keyword">template</span> <<span class="keyword">typename</span> T></div>
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<div class="line"><a id="l00035" name="l00035"></a><span class="lineno"> 35</span> [[nodiscard]] std::vector<T> <a class="code hl_function" href="classgridfire_1_1screening_1_1_weak_screening_model.html#a2695206d46b9d2c2503f8e58c44df88f">calculateFactors_impl</a>(</div>
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<div class="line"><a id="l00036" name="l00036"></a><span class="lineno"> 36</span> <span class="keyword">const</span> <a class="code hl_typedef" href="namespacegridfire_1_1reaction.html#aa86f08712565f278adacc7cd2361eb31">reaction::LogicalReactionSet</a>& reactions,</div>
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<div class="line"><a id="l00037" name="l00037"></a><span class="lineno"> 37</span> <span class="keyword">const</span> std::vector<fourdst::atomic::Species>& species,</div>
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<div class="line"><a id="l00038" name="l00038"></a><span class="lineno"> 38</span> <span class="keyword">const</span> std::vector<T>& Y,</div>
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<div class="line"><a id="l00039" name="l00039"></a><span class="lineno"> 39</span> <span class="keyword">const</span> T T9,</div>
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<div class="line"><a id="l00040" name="l00040"></a><span class="lineno"> 40</span> <span class="keyword">const</span> T rho</div>
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<div class="line"><a id="l00041" name="l00041"></a><span class="lineno"> 41</span> ) <span class="keyword">const</span>;</div>
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<div class="line"><a id="l00042" name="l00042"></a><span class="lineno"> 42</span> };</div>
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<div class="foldopen" id="foldopen00026" data-start="{" data-end="};">
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<div class="line"><a id="l00026" name="l00026"></a><span class="lineno"><a class="line" href="classgridfire_1_1screening_1_1_weak_screening_model.html"> 26</a></span> <span class="keyword">class </span><a class="code hl_class" href="classgridfire_1_1screening_1_1_weak_screening_model.html">WeakScreeningModel</a> final : <span class="keyword">public</span> <a class="code hl_class" href="classgridfire_1_1screening_1_1_screening_model.html">ScreeningModel</a> {</div>
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<div class="line"><a id="l00027" name="l00027"></a><span class="lineno"> 27</span> <span class="keyword">public</span>:</div>
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<div class="line"><a id="l00050" name="l00050"></a><span class="lineno"> 50</span> [[nodiscard]] std::vector<double> <a class="code hl_function" href="classgridfire_1_1screening_1_1_weak_screening_model.html#afbaeaefe6b3ab3ecf81889ddc1cff76c">calculateScreeningFactors</a>(</div>
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<div class="line"><a id="l00051" name="l00051"></a><span class="lineno"> 51</span> <span class="keyword">const</span> <a class="code hl_typedef" href="namespacegridfire_1_1reaction.html#aa86f08712565f278adacc7cd2361eb31">reaction::LogicalReactionSet</a>& reactions,</div>
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<div class="line"><a id="l00052" name="l00052"></a><span class="lineno"> 52</span> <span class="keyword">const</span> std::vector<fourdst::atomic::Species>& species,</div>
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<div class="line"><a id="l00053" name="l00053"></a><span class="lineno"> 53</span> <span class="keyword">const</span> std::vector<double>& Y,</div>
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<div class="line"><a id="l00054" name="l00054"></a><span class="lineno"> 54</span> <span class="keyword">const</span> <span class="keywordtype">double</span> T9,</div>
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<div class="line"><a id="l00055" name="l00055"></a><span class="lineno"> 55</span> <span class="keyword">const</span> <span class="keywordtype">double</span> rho</div>
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<div class="line"><a id="l00056" name="l00056"></a><span class="lineno"> 56</span> ) <span class="keyword">const override</span>;</div>
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<div class="line"><a id="l00057" name="l00057"></a><span class="lineno"> 57</span></div>
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<div class="line"><a id="l00072" name="l00072"></a><span class="lineno"> 72</span> [[nodiscard]] std::vector<CppAD::AD<double>> <a class="code hl_function" href="classgridfire_1_1screening_1_1_weak_screening_model.html#afbaeaefe6b3ab3ecf81889ddc1cff76c">calculateScreeningFactors</a>(</div>
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<div class="line"><a id="l00073" name="l00073"></a><span class="lineno"> 73</span> <span class="keyword">const</span> <a class="code hl_typedef" href="namespacegridfire_1_1reaction.html#aa86f08712565f278adacc7cd2361eb31">reaction::LogicalReactionSet</a>& reactions,</div>
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<div class="line"><a id="l00074" name="l00074"></a><span class="lineno"> 74</span> <span class="keyword">const</span> std::vector<fourdst::atomic::Species>& species,</div>
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<div class="line"><a id="l00075" name="l00075"></a><span class="lineno"> 75</span> <span class="keyword">const</span> std::vector<CppAD::AD<double>>& Y,</div>
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<div class="line"><a id="l00076" name="l00076"></a><span class="lineno"> 76</span> <span class="keyword">const</span> CppAD::AD<double> T9,</div>
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<div class="line"><a id="l00077" name="l00077"></a><span class="lineno"> 77</span> <span class="keyword">const</span> CppAD::AD<double> rho</div>
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<div class="line"><a id="l00078" name="l00078"></a><span class="lineno"> 78</span> ) <span class="keyword">const override</span>;</div>
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<div class="line"><a id="l00079" name="l00079"></a><span class="lineno"> 79</span> <span class="keyword">private</span>:</div>
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<div class="line"><a id="l00081" name="l00081"></a><span class="lineno"><a class="line" href="classgridfire_1_1screening_1_1_weak_screening_model.html#a0a4d7d6d36dbe7b764b613d34f18386f"> 81</a></span> quill::Logger* <a class="code hl_variable" href="classgridfire_1_1screening_1_1_weak_screening_model.html#a0a4d7d6d36dbe7b764b613d34f18386f">m_logger</a> = fourdst::logging::LogManager::getInstance().getLogger(<span class="stringliteral">"log"</span>);</div>
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<div class="line"><a id="l00082" name="l00082"></a><span class="lineno"> 82</span> </div>
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<div class="line"><a id="l00083" name="l00083"></a><span class="lineno"> 83</span> <span class="keyword">private</span>:</div>
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<div class="line"><a id="l00099" name="l00099"></a><span class="lineno"> 99</span> <span class="keyword">template</span> <<span class="keyword">typename</span> T></div>
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<div class="line"><a id="l00100" name="l00100"></a><span class="lineno"> 100</span> [[nodiscard]] std::vector<T> <a class="code hl_function" href="classgridfire_1_1screening_1_1_weak_screening_model.html#a2695206d46b9d2c2503f8e58c44df88f">calculateFactors_impl</a>(</div>
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<div class="line"><a id="l00101" name="l00101"></a><span class="lineno"> 101</span> <span class="keyword">const</span> <a class="code hl_typedef" href="namespacegridfire_1_1reaction.html#aa86f08712565f278adacc7cd2361eb31">reaction::LogicalReactionSet</a>& reactions,</div>
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<div class="line"><a id="l00102" name="l00102"></a><span class="lineno"> 102</span> <span class="keyword">const</span> std::vector<fourdst::atomic::Species>& species,</div>
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<div class="line"><a id="l00103" name="l00103"></a><span class="lineno"> 103</span> <span class="keyword">const</span> std::vector<T>& Y,</div>
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<div class="line"><a id="l00104" name="l00104"></a><span class="lineno"> 104</span> <span class="keyword">const</span> T T9,</div>
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<div class="line"><a id="l00105" name="l00105"></a><span class="lineno"> 105</span> <span class="keyword">const</span> T rho</div>
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<div class="line"><a id="l00106" name="l00106"></a><span class="lineno"> 106</span> ) <span class="keyword">const</span>;</div>
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<div class="line"><a id="l00107" name="l00107"></a><span class="lineno"> 107</span> };</div>
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</div>
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<div class="line"><a id="l00043" name="l00043"></a><span class="lineno"> 43</span> </div>
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<div class="line"><a id="l00044" name="l00044"></a><span class="lineno"> 44</span> <span class="keyword">template</span> <<span class="keyword">typename</span> T></div>
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<div class="foldopen" id="foldopen00045" data-start="{" data-end="}">
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<div class="line"><a id="l00045" name="l00045"></a><span class="lineno"><a class="line" href="classgridfire_1_1screening_1_1_weak_screening_model.html#a2695206d46b9d2c2503f8e58c44df88f"> 45</a></span> std::vector<T> <a class="code hl_function" href="classgridfire_1_1screening_1_1_weak_screening_model.html#a2695206d46b9d2c2503f8e58c44df88f">WeakScreeningModel::calculateFactors_impl</a>(</div>
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<div class="line"><a id="l00046" name="l00046"></a><span class="lineno"> 46</span> <span class="keyword">const</span> <a class="code hl_typedef" href="namespacegridfire_1_1reaction.html#aa86f08712565f278adacc7cd2361eb31">reaction::LogicalReactionSet</a>& reactions,</div>
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<div class="line"><a id="l00047" name="l00047"></a><span class="lineno"> 47</span> <span class="keyword">const</span> std::vector<fourdst::atomic::Species>& species,</div>
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<div class="line"><a id="l00048" name="l00048"></a><span class="lineno"> 48</span> <span class="keyword">const</span> std::vector<T>& Y,</div>
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<div class="line"><a id="l00049" name="l00049"></a><span class="lineno"> 49</span> <span class="keyword">const</span> T T9,</div>
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<div class="line"><a id="l00050" name="l00050"></a><span class="lineno"> 50</span> <span class="keyword">const</span> T rho</div>
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<div class="line"><a id="l00051" name="l00051"></a><span class="lineno"> 51</span> )<span class="keyword"> const </span>{</div>
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<div class="line"><a id="l00052" name="l00052"></a><span class="lineno"> 52</span> LOG_TRACE_L1(</div>
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<div class="line"><a id="l00053" name="l00053"></a><span class="lineno"> 53</span> <a class="code hl_variable" href="classgridfire_1_1screening_1_1_weak_screening_model.html#a0a4d7d6d36dbe7b764b613d34f18386f">m_logger</a>,</div>
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<div class="line"><a id="l00054" name="l00054"></a><span class="lineno"> 54</span> <span class="stringliteral">"Calculating weak screening factors for {} reactions..."</span>,</div>
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<div class="line"><a id="l00055" name="l00055"></a><span class="lineno"> 55</span> reactions.<a class="code hl_function" href="classgridfire_1_1reaction_1_1_templated_reaction_set.html#a6a1dc3c56690386ae9f6aa5c2aa37ba2">size</a>()</div>
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<div class="line"><a id="l00056" name="l00056"></a><span class="lineno"> 56</span> );</div>
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<div class="line"><a id="l00057" name="l00057"></a><span class="lineno"> 57</span> <span class="comment">// --- CppAD Safe low temp checking ---</span></div>
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<div class="line"><a id="l00058" name="l00058"></a><span class="lineno"> 58</span> <span class="keyword">const</span> T zero(0.0);</div>
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<div class="line"><a id="l00059" name="l00059"></a><span class="lineno"> 59</span> <span class="keyword">const</span> T one(1.0);</div>
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<div class="line"><a id="l00060" name="l00060"></a><span class="lineno"> 60</span> <span class="keyword">const</span> T low_temp_threshold(1e-9);</div>
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<div class="line"><a id="l00061" name="l00061"></a><span class="lineno"> 61</span> </div>
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<div class="line"><a id="l00062" name="l00062"></a><span class="lineno"> 62</span> <span class="keyword">const</span> T low_T_flag = CppAD::CondExpLt(T9, low_temp_threshold, zero, one);</div>
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<div class="line"><a id="l00063" name="l00063"></a><span class="lineno"> 63</span> </div>
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<div class="line"><a id="l00064" name="l00064"></a><span class="lineno"> 64</span> <span class="comment">// --- Calculate composition-dependent terms ---</span></div>
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<div class="line"><a id="l00065" name="l00065"></a><span class="lineno"> 65</span> <span class="comment">// ζ = ∑(Z_i^2 + Z_i) * X_i / A_i</span></div>
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<div class="line"><a id="l00066" name="l00066"></a><span class="lineno"> 66</span> <span class="comment">// This simplifies somewhat to ζ = ∑ (Z_i^2 + Z_i) * Y_i</span></div>
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<div class="line"><a id="l00067" name="l00067"></a><span class="lineno"> 67</span> <span class="comment">// Where Y_i is the molar abundance (mol/g)</span></div>
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<div class="line"><a id="l00068" name="l00068"></a><span class="lineno"> 68</span> T zeta(0.0);</div>
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<div class="line"><a id="l00069" name="l00069"></a><span class="lineno"> 69</span> <span class="keywordflow">for</span> (<span class="keywordtype">size_t</span> i = 0; i < species.size(); ++i) {</div>
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<div class="line"><a id="l00070" name="l00070"></a><span class="lineno"> 70</span> <span class="keyword">const</span> T Z = species[i].m_z;</div>
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<div class="line"><a id="l00071" name="l00071"></a><span class="lineno"> 71</span> zeta += (Z * Z + Z) * Y[i];</div>
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<div class="line"><a id="l00072" name="l00072"></a><span class="lineno"> 72</span> }</div>
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<div class="line"><a id="l00073" name="l00073"></a><span class="lineno"> 73</span> </div>
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<div class="line"><a id="l00074" name="l00074"></a><span class="lineno"> 74</span> <span class="comment">// --- Constant prefactors ---</span></div>
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<div class="line"><a id="l00075" name="l00075"></a><span class="lineno"> 75</span> <span class="keyword">const</span> T T7 = T9 * <span class="keyword">static_cast<</span>T<span class="keyword">></span>(100.00);</div>
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<div class="line"><a id="l00076" name="l00076"></a><span class="lineno"> 76</span> <span class="keyword">const</span> T T7_safe = CppAD::CondExpLe(T7, low_temp_threshold, low_temp_threshold, T7);</div>
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<div class="line"><a id="l00077" name="l00077"></a><span class="lineno"> 77</span> <span class="keyword">const</span> T prefactor = <span class="keyword">static_cast<</span>T<span class="keyword">></span>(0.188) * CppAD::sqrt(rho / (T7_safe * T7_safe * T7_safe)) * CppAD::sqrt(zeta);</div>
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<div class="line"><a id="l00078" name="l00078"></a><span class="lineno"> 78</span> </div>
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<div class="line"><a id="l00079" name="l00079"></a><span class="lineno"> 79</span> <span class="comment">// --- Loop through reactions and calculate screening factors for each ---</span></div>
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<div class="line"><a id="l00080" name="l00080"></a><span class="lineno"> 80</span> std::vector<T> factors;</div>
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<div class="line"><a id="l00081" name="l00081"></a><span class="lineno"> 81</span> factors.reserve(reactions.<a class="code hl_function" href="classgridfire_1_1reaction_1_1_templated_reaction_set.html#a6a1dc3c56690386ae9f6aa5c2aa37ba2">size</a>());</div>
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<div class="line"><a id="l00082" name="l00082"></a><span class="lineno"> 82</span> <span class="keywordflow">for</span> (<span class="keyword">const</span> <span class="keyword">auto</span>& <a class="code hl_namespace" href="namespacegridfire_1_1reaction.html">reaction</a> : reactions) {</div>
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<div class="line"><a id="l00083" name="l00083"></a><span class="lineno"> 83</span> T H_12(0.0); <span class="comment">// screening abundance term</span></div>
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<div class="line"><a id="l00084" name="l00084"></a><span class="lineno"> 84</span> <span class="keyword">const</span> <span class="keyword">auto</span>& reactants = <a class="code hl_namespace" href="namespacegridfire_1_1reaction.html">reaction</a>.reactants();</div>
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<div class="line"><a id="l00085" name="l00085"></a><span class="lineno"> 85</span> <span class="keyword">const</span> <span class="keywordtype">bool</span> isTripleAlpha = (</div>
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<div class="line"><a id="l00086" name="l00086"></a><span class="lineno"> 86</span> reactants.size() == 3 &&</div>
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<div class="line"><a id="l00087" name="l00087"></a><span class="lineno"> 87</span> reactants[0].m_z == 2 &&</div>
|
||||
<div class="line"><a id="l00088" name="l00088"></a><span class="lineno"> 88</span> reactants[1].m_z == 2 &&</div>
|
||||
<div class="line"><a id="l00089" name="l00089"></a><span class="lineno"> 89</span> reactants[2].m_z == 2 &&</div>
|
||||
<div class="line"><a id="l00090" name="l00090"></a><span class="lineno"> 90</span> reactants[0] == reactants[1] &&</div>
|
||||
<div class="line"><a id="l00091" name="l00091"></a><span class="lineno"> 91</span> reactants[1] == reactants[2]</div>
|
||||
<div class="line"><a id="l00092" name="l00092"></a><span class="lineno"> 92</span> );</div>
|
||||
<div class="line"><a id="l00093" name="l00093"></a><span class="lineno"> 93</span> <span class="keywordflow">if</span> (reactants.size() == 2) {</div>
|
||||
<div class="line"><a id="l00094" name="l00094"></a><span class="lineno"> 94</span> LOG_TRACE_L3(<a class="code hl_variable" href="classgridfire_1_1screening_1_1_weak_screening_model.html#a0a4d7d6d36dbe7b764b613d34f18386f">m_logger</a>, <span class="stringliteral">"Calculating screening factor for reaction: {}"</span>, <a class="code hl_namespace" href="namespacegridfire_1_1reaction.html">reaction</a>.peName());</div>
|
||||
<div class="line"><a id="l00095" name="l00095"></a><span class="lineno"> 95</span> <span class="keyword">const</span> T Z1 = <span class="keyword">static_cast<</span>T<span class="keyword">></span>(reactants[0].m_z);</div>
|
||||
<div class="line"><a id="l00096" name="l00096"></a><span class="lineno"> 96</span> <span class="keyword">const</span> T Z2 = <span class="keyword">static_cast<</span>T<span class="keyword">></span>(reactants[1].m_z);</div>
|
||||
<div class="line"><a id="l00097" name="l00097"></a><span class="lineno"> 97</span> H_12 = prefactor * Z1 * Z2;</div>
|
||||
<div class="line"><a id="l00098" name="l00098"></a><span class="lineno"> 98</span> }</div>
|
||||
<div class="line"><a id="l00099" name="l00099"></a><span class="lineno"> 99</span> <span class="keywordflow">else</span> <span class="keywordflow">if</span> (isTripleAlpha) {</div>
|
||||
<div class="line"><a id="l00100" name="l00100"></a><span class="lineno"> 100</span> LOG_TRACE_L3(<a class="code hl_variable" href="classgridfire_1_1screening_1_1_weak_screening_model.html#a0a4d7d6d36dbe7b764b613d34f18386f">m_logger</a>, <span class="stringliteral">"Special case for triple alpha process in reaction: {}"</span>, <a class="code hl_namespace" href="namespacegridfire_1_1reaction.html">reaction</a>.peName());</div>
|
||||
<div class="line"><a id="l00101" name="l00101"></a><span class="lineno"> 101</span> <span class="comment">// Special case for triple alpha process</span></div>
|
||||
<div class="line"><a id="l00102" name="l00102"></a><span class="lineno"> 102</span> <span class="keyword">const</span> T Z_alpha = <span class="keyword">static_cast<</span>T<span class="keyword">></span>(2.0);</div>
|
||||
<div class="line"><a id="l00103" name="l00103"></a><span class="lineno"> 103</span> <span class="keyword">const</span> T H_alpha_alpha = prefactor * Z_alpha * Z_alpha;</div>
|
||||
<div class="line"><a id="l00104" name="l00104"></a><span class="lineno"> 104</span> H_12 = <span class="keyword">static_cast<</span>T<span class="keyword">></span>(3.0) * H_alpha_alpha; <span class="comment">// Triple alpha process</span></div>
|
||||
<div class="line"><a id="l00105" name="l00105"></a><span class="lineno"> 105</span> }</div>
|
||||
<div class="line"><a id="l00106" name="l00106"></a><span class="lineno"> 106</span> <span class="comment">// For 1 body reactions H_12 remains 0 so e^H_12 will be 1.0 (screening does not apply)</span></div>
|
||||
<div class="line"><a id="l00107" name="l00107"></a><span class="lineno"> 107</span> <span class="comment">// Aside from triple alpha, all other astrophysically relevant reactions are 2-body in the weak screening regime</span></div>
|
||||
<div class="line"><a id="l00108" name="l00108"></a><span class="lineno"> 108</span> </div>
|
||||
<div class="line"><a id="l00109" name="l00109"></a><span class="lineno"> 109</span> H_12 *= low_T_flag; <span class="comment">// Apply low temperature flag to screening factor</span></div>
|
||||
<div class="line"><a id="l00110" name="l00110"></a><span class="lineno"> 110</span> H_12 = CppAD::CondExpGe(H_12, <span class="keyword">static_cast<</span>T<span class="keyword">></span>(2.0), <span class="keyword">static_cast<</span>T<span class="keyword">></span>(2.0), H_12); <span class="comment">// Caps the screening factor at 10 to avoid numerical issues</span></div>
|
||||
<div class="line"><a id="l00111" name="l00111"></a><span class="lineno"> 111</span> factors.push_back(CppAD::exp(H_12));</div>
|
||||
<div class="line"><a id="l00112" name="l00112"></a><span class="lineno"> 112</span> <span class="comment">// std::cout << "Screening factor: " << reaction.peName() << " : " << factors.back() << "(" << H_12 << ")" << std::endl;</span></div>
|
||||
<div class="line"><a id="l00113" name="l00113"></a><span class="lineno"> 113</span> }</div>
|
||||
<div class="line"><a id="l00114" name="l00114"></a><span class="lineno"> 114</span> <span class="keywordflow">return</span> factors;</div>
|
||||
<div class="line"><a id="l00115" name="l00115"></a><span class="lineno"> 115</span> }</div>
|
||||
<div class="line"><a id="l00108" name="l00108"></a><span class="lineno"> 108</span></div>
|
||||
<div class="line"><a id="l00140" name="l00140"></a><span class="lineno"> 140</span> <span class="keyword">template</span> <<span class="keyword">typename</span> T></div>
|
||||
<div class="foldopen" id="foldopen00141" data-start="{" data-end="}">
|
||||
<div class="line"><a id="l00141" name="l00141"></a><span class="lineno"><a class="line" href="classgridfire_1_1screening_1_1_weak_screening_model.html#a2695206d46b9d2c2503f8e58c44df88f"> 141</a></span> std::vector<T> <a class="code hl_function" href="classgridfire_1_1screening_1_1_weak_screening_model.html#a2695206d46b9d2c2503f8e58c44df88f">WeakScreeningModel::calculateFactors_impl</a>(</div>
|
||||
<div class="line"><a id="l00142" name="l00142"></a><span class="lineno"> 142</span> <span class="keyword">const</span> <a class="code hl_typedef" href="namespacegridfire_1_1reaction.html#aa86f08712565f278adacc7cd2361eb31">reaction::LogicalReactionSet</a>& reactions,</div>
|
||||
<div class="line"><a id="l00143" name="l00143"></a><span class="lineno"> 143</span> <span class="keyword">const</span> std::vector<fourdst::atomic::Species>& species,</div>
|
||||
<div class="line"><a id="l00144" name="l00144"></a><span class="lineno"> 144</span> <span class="keyword">const</span> std::vector<T>& Y,</div>
|
||||
<div class="line"><a id="l00145" name="l00145"></a><span class="lineno"> 145</span> <span class="keyword">const</span> T T9,</div>
|
||||
<div class="line"><a id="l00146" name="l00146"></a><span class="lineno"> 146</span> <span class="keyword">const</span> T rho</div>
|
||||
<div class="line"><a id="l00147" name="l00147"></a><span class="lineno"> 147</span> )<span class="keyword"> const </span>{</div>
|
||||
<div class="line"><a id="l00148" name="l00148"></a><span class="lineno"> 148</span> LOG_TRACE_L1(</div>
|
||||
<div class="line"><a id="l00149" name="l00149"></a><span class="lineno"> 149</span> <a class="code hl_variable" href="classgridfire_1_1screening_1_1_weak_screening_model.html#a0a4d7d6d36dbe7b764b613d34f18386f">m_logger</a>,</div>
|
||||
<div class="line"><a id="l00150" name="l00150"></a><span class="lineno"> 150</span> <span class="stringliteral">"Calculating weak screening factors for {} reactions..."</span>,</div>
|
||||
<div class="line"><a id="l00151" name="l00151"></a><span class="lineno"> 151</span> reactions.<a class="code hl_function" href="classgridfire_1_1reaction_1_1_templated_reaction_set.html#a6a1dc3c56690386ae9f6aa5c2aa37ba2">size</a>()</div>
|
||||
<div class="line"><a id="l00152" name="l00152"></a><span class="lineno"> 152</span> );</div>
|
||||
<div class="line"><a id="l00153" name="l00153"></a><span class="lineno"> 153</span> <span class="comment">// --- CppAD Safe low temp checking ---</span></div>
|
||||
<div class="line"><a id="l00154" name="l00154"></a><span class="lineno"> 154</span> <span class="keyword">const</span> T zero(0.0);</div>
|
||||
<div class="line"><a id="l00155" name="l00155"></a><span class="lineno"> 155</span> <span class="keyword">const</span> T one(1.0);</div>
|
||||
<div class="line"><a id="l00156" name="l00156"></a><span class="lineno"> 156</span> <span class="keyword">const</span> T low_temp_threshold(1e-9);</div>
|
||||
<div class="line"><a id="l00157" name="l00157"></a><span class="lineno"> 157</span> </div>
|
||||
<div class="line"><a id="l00158" name="l00158"></a><span class="lineno"> 158</span> <span class="keyword">const</span> T low_T_flag = CppAD::CondExpLt(T9, low_temp_threshold, zero, one);</div>
|
||||
<div class="line"><a id="l00159" name="l00159"></a><span class="lineno"> 159</span> </div>
|
||||
<div class="line"><a id="l00160" name="l00160"></a><span class="lineno"> 160</span> <span class="comment">// --- Calculate composition-dependent terms ---</span></div>
|
||||
<div class="line"><a id="l00161" name="l00161"></a><span class="lineno"> 161</span> <span class="comment">// ζ = ∑(Z_i^2 + Z_i) * X_i / A_i</span></div>
|
||||
<div class="line"><a id="l00162" name="l00162"></a><span class="lineno"> 162</span> <span class="comment">// This simplifies somewhat to ζ = ∑ (Z_i^2 + Z_i) * Y_i</span></div>
|
||||
<div class="line"><a id="l00163" name="l00163"></a><span class="lineno"> 163</span> <span class="comment">// Where Y_i is the molar abundance (mol/g)</span></div>
|
||||
<div class="line"><a id="l00164" name="l00164"></a><span class="lineno"> 164</span> T zeta(0.0);</div>
|
||||
<div class="line"><a id="l00165" name="l00165"></a><span class="lineno"> 165</span> <span class="keywordflow">for</span> (<span class="keywordtype">size_t</span> i = 0; i < species.size(); ++i) {</div>
|
||||
<div class="line"><a id="l00166" name="l00166"></a><span class="lineno"> 166</span> <span class="keyword">const</span> T Z = species[i].m_z;</div>
|
||||
<div class="line"><a id="l00167" name="l00167"></a><span class="lineno"> 167</span> zeta += (Z * Z + Z) * Y[i];</div>
|
||||
<div class="line"><a id="l00168" name="l00168"></a><span class="lineno"> 168</span> }</div>
|
||||
<div class="line"><a id="l00169" name="l00169"></a><span class="lineno"> 169</span> </div>
|
||||
<div class="line"><a id="l00170" name="l00170"></a><span class="lineno"> 170</span> <span class="comment">// --- Constant prefactors ---</span></div>
|
||||
<div class="line"><a id="l00171" name="l00171"></a><span class="lineno"> 171</span> <span class="keyword">const</span> T T7 = T9 * <span class="keyword">static_cast<</span>T<span class="keyword">></span>(100.00);</div>
|
||||
<div class="line"><a id="l00172" name="l00172"></a><span class="lineno"> 172</span> <span class="keyword">const</span> T T7_safe = CppAD::CondExpLe(T7, low_temp_threshold, low_temp_threshold, T7);</div>
|
||||
<div class="line"><a id="l00173" name="l00173"></a><span class="lineno"> 173</span> <span class="keyword">const</span> T prefactor = <span class="keyword">static_cast<</span>T<span class="keyword">></span>(0.188) * CppAD::sqrt(rho / (T7_safe * T7_safe * T7_safe)) * CppAD::sqrt(zeta);</div>
|
||||
<div class="line"><a id="l00174" name="l00174"></a><span class="lineno"> 174</span> </div>
|
||||
<div class="line"><a id="l00175" name="l00175"></a><span class="lineno"> 175</span> <span class="comment">// --- Loop through reactions and calculate screening factors for each ---</span></div>
|
||||
<div class="line"><a id="l00176" name="l00176"></a><span class="lineno"> 176</span> std::vector<T> factors;</div>
|
||||
<div class="line"><a id="l00177" name="l00177"></a><span class="lineno"> 177</span> factors.reserve(reactions.<a class="code hl_function" href="classgridfire_1_1reaction_1_1_templated_reaction_set.html#a6a1dc3c56690386ae9f6aa5c2aa37ba2">size</a>());</div>
|
||||
<div class="line"><a id="l00178" name="l00178"></a><span class="lineno"> 178</span> <span class="keywordflow">for</span> (<span class="keyword">const</span> <span class="keyword">auto</span>& <a class="code hl_namespace" href="namespacegridfire_1_1reaction.html">reaction</a> : reactions) {</div>
|
||||
<div class="line"><a id="l00179" name="l00179"></a><span class="lineno"> 179</span> T H_12(0.0); <span class="comment">// screening abundance term</span></div>
|
||||
<div class="line"><a id="l00180" name="l00180"></a><span class="lineno"> 180</span> <span class="keyword">const</span> <span class="keyword">auto</span>& reactants = <a class="code hl_namespace" href="namespacegridfire_1_1reaction.html">reaction</a>.reactants();</div>
|
||||
<div class="line"><a id="l00181" name="l00181"></a><span class="lineno"> 181</span> <span class="keyword">const</span> <span class="keywordtype">bool</span> isTripleAlpha = (</div>
|
||||
<div class="line"><a id="l00182" name="l00182"></a><span class="lineno"> 182</span> reactants.size() == 3 &&</div>
|
||||
<div class="line"><a id="l00183" name="l00183"></a><span class="lineno"> 183</span> reactants[0].m_z == 2 &&</div>
|
||||
<div class="line"><a id="l00184" name="l00184"></a><span class="lineno"> 184</span> reactants[1].m_z == 2 &&</div>
|
||||
<div class="line"><a id="l00185" name="l00185"></a><span class="lineno"> 185</span> reactants[2].m_z == 2 &&</div>
|
||||
<div class="line"><a id="l00186" name="l00186"></a><span class="lineno"> 186</span> reactants[0] == reactants[1] &&</div>
|
||||
<div class="line"><a id="l00187" name="l00187"></a><span class="lineno"> 187</span> reactants[1] == reactants[2]</div>
|
||||
<div class="line"><a id="l00188" name="l00188"></a><span class="lineno"> 188</span> );</div>
|
||||
<div class="line"><a id="l00189" name="l00189"></a><span class="lineno"> 189</span> <span class="keywordflow">if</span> (reactants.size() == 2) {</div>
|
||||
<div class="line"><a id="l00190" name="l00190"></a><span class="lineno"> 190</span> LOG_TRACE_L3(<a class="code hl_variable" href="classgridfire_1_1screening_1_1_weak_screening_model.html#a0a4d7d6d36dbe7b764b613d34f18386f">m_logger</a>, <span class="stringliteral">"Calculating screening factor for reaction: {}"</span>, <a class="code hl_namespace" href="namespacegridfire_1_1reaction.html">reaction</a>.peName());</div>
|
||||
<div class="line"><a id="l00191" name="l00191"></a><span class="lineno"> 191</span> <span class="keyword">const</span> T Z1 = <span class="keyword">static_cast<</span>T<span class="keyword">></span>(reactants[0].m_z);</div>
|
||||
<div class="line"><a id="l00192" name="l00192"></a><span class="lineno"> 192</span> <span class="keyword">const</span> T Z2 = <span class="keyword">static_cast<</span>T<span class="keyword">></span>(reactants[1].m_z);</div>
|
||||
<div class="line"><a id="l00193" name="l00193"></a><span class="lineno"> 193</span> H_12 = prefactor * Z1 * Z2;</div>
|
||||
<div class="line"><a id="l00194" name="l00194"></a><span class="lineno"> 194</span> }</div>
|
||||
<div class="line"><a id="l00195" name="l00195"></a><span class="lineno"> 195</span> <span class="keywordflow">else</span> <span class="keywordflow">if</span> (isTripleAlpha) {</div>
|
||||
<div class="line"><a id="l00196" name="l00196"></a><span class="lineno"> 196</span> LOG_TRACE_L3(<a class="code hl_variable" href="classgridfire_1_1screening_1_1_weak_screening_model.html#a0a4d7d6d36dbe7b764b613d34f18386f">m_logger</a>, <span class="stringliteral">"Special case for triple alpha process in reaction: {}"</span>, <a class="code hl_namespace" href="namespacegridfire_1_1reaction.html">reaction</a>.peName());</div>
|
||||
<div class="line"><a id="l00197" name="l00197"></a><span class="lineno"> 197</span> <span class="comment">// Special case for triple alpha process</span></div>
|
||||
<div class="line"><a id="l00198" name="l00198"></a><span class="lineno"> 198</span> <span class="keyword">const</span> T Z_alpha = <span class="keyword">static_cast<</span>T<span class="keyword">></span>(2.0);</div>
|
||||
<div class="line"><a id="l00199" name="l00199"></a><span class="lineno"> 199</span> <span class="keyword">const</span> T H_alpha_alpha = prefactor * Z_alpha * Z_alpha;</div>
|
||||
<div class="line"><a id="l00200" name="l00200"></a><span class="lineno"> 200</span> H_12 = <span class="keyword">static_cast<</span>T<span class="keyword">></span>(3.0) * H_alpha_alpha; <span class="comment">// Triple alpha process</span></div>
|
||||
<div class="line"><a id="l00201" name="l00201"></a><span class="lineno"> 201</span> }</div>
|
||||
<div class="line"><a id="l00202" name="l00202"></a><span class="lineno"> 202</span> <span class="comment">// For 1 body reactions H_12 remains 0 so e^H_12 will be 1.0 (screening does not apply)</span></div>
|
||||
<div class="line"><a id="l00203" name="l00203"></a><span class="lineno"> 203</span> <span class="comment">// Aside from triple alpha, all other astrophysically relevant reactions are 2-body in the weak screening regime</span></div>
|
||||
<div class="line"><a id="l00204" name="l00204"></a><span class="lineno"> 204</span> </div>
|
||||
<div class="line"><a id="l00205" name="l00205"></a><span class="lineno"> 205</span> H_12 *= low_T_flag; <span class="comment">// Apply low temperature flag to screening factor</span></div>
|
||||
<div class="line"><a id="l00206" name="l00206"></a><span class="lineno"> 206</span> H_12 = CppAD::CondExpGe(H_12, <span class="keyword">static_cast<</span>T<span class="keyword">></span>(2.0), <span class="keyword">static_cast<</span>T<span class="keyword">></span>(2.0), H_12); <span class="comment">// Caps the screening factor at 10 to avoid numerical issues</span></div>
|
||||
<div class="line"><a id="l00207" name="l00207"></a><span class="lineno"> 207</span> factors.push_back(CppAD::exp(H_12));</div>
|
||||
<div class="line"><a id="l00208" name="l00208"></a><span class="lineno"> 208</span> <span class="comment">// std::cout << "Screening factor: " << reaction.peName() << " : " << factors.back() << "(" << H_12 << ")" << std::endl;</span></div>
|
||||
<div class="line"><a id="l00209" name="l00209"></a><span class="lineno"> 209</span> }</div>
|
||||
<div class="line"><a id="l00210" name="l00210"></a><span class="lineno"> 210</span> <span class="keywordflow">return</span> factors;</div>
|
||||
<div class="line"><a id="l00211" name="l00211"></a><span class="lineno"> 211</span> }</div>
|
||||
</div>
|
||||
<div class="line"><a id="l00116" name="l00116"></a><span class="lineno"> 116</span> </div>
|
||||
<div class="line"><a id="l00117" name="l00117"></a><span class="lineno"> 117</span>}</div>
|
||||
<div class="line"><a id="l00212" name="l00212"></a><span class="lineno"> 212</span> </div>
|
||||
<div class="line"><a id="l00213" name="l00213"></a><span class="lineno"> 213</span>}</div>
|
||||
<div class="ttc" id="aclassgridfire_1_1reaction_1_1_templated_reaction_set_html_a6a1dc3c56690386ae9f6aa5c2aa37ba2"><div class="ttname"><a href="classgridfire_1_1reaction_1_1_templated_reaction_set.html#a6a1dc3c56690386ae9f6aa5c2aa37ba2">gridfire::reaction::TemplatedReactionSet::size</a></div><div class="ttdeci">size_t size() const</div><div class="ttdoc">Gets the number of reactions in the set.</div><div class="ttdef"><b>Definition</b> <a href="reaction_8h_source.html#l00453">reaction.h:453</a></div></div>
|
||||
<div class="ttc" id="aclassgridfire_1_1screening_1_1_screening_model_html"><div class="ttname"><a href="classgridfire_1_1screening_1_1_screening_model.html">gridfire::screening::ScreeningModel</a></div><div class="ttdef"><b>Definition</b> <a href="screening__abstract_8h_source.html#l00012">screening_abstract.h:12</a></div></div>
|
||||
<div class="ttc" id="aclassgridfire_1_1screening_1_1_weak_screening_model_html"><div class="ttname"><a href="classgridfire_1_1screening_1_1_weak_screening_model.html">gridfire::screening::WeakScreeningModel</a></div><div class="ttdef"><b>Definition</b> <a href="#l00013">screening_weak.h:13</a></div></div>
|
||||
<div class="ttc" id="aclassgridfire_1_1screening_1_1_weak_screening_model_html_a0a4d7d6d36dbe7b764b613d34f18386f"><div class="ttname"><a href="classgridfire_1_1screening_1_1_weak_screening_model.html#a0a4d7d6d36dbe7b764b613d34f18386f">gridfire::screening::WeakScreeningModel::m_logger</a></div><div class="ttdeci">quill::Logger * m_logger</div><div class="ttdef"><b>Definition</b> <a href="#l00031">screening_weak.h:31</a></div></div>
|
||||
<div class="ttc" id="aclassgridfire_1_1screening_1_1_weak_screening_model_html_a2695206d46b9d2c2503f8e58c44df88f"><div class="ttname"><a href="classgridfire_1_1screening_1_1_weak_screening_model.html#a2695206d46b9d2c2503f8e58c44df88f">gridfire::screening::WeakScreeningModel::calculateFactors_impl</a></div><div class="ttdeci">std::vector< T > calculateFactors_impl(const reaction::LogicalReactionSet &reactions, const std::vector< fourdst::atomic::Species > &species, const std::vector< T > &Y, const T T9, const T rho) const</div><div class="ttdef"><b>Definition</b> <a href="#l00045">screening_weak.h:45</a></div></div>
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<div class="ttc" id="aclassgridfire_1_1screening_1_1_weak_screening_model_html_afbaeaefe6b3ab3ecf81889ddc1cff76c"><div class="ttname"><a href="classgridfire_1_1screening_1_1_weak_screening_model.html#afbaeaefe6b3ab3ecf81889ddc1cff76c">gridfire::screening::WeakScreeningModel::calculateScreeningFactors</a></div><div class="ttdeci">std::vector< double > calculateScreeningFactors(const reaction::LogicalReactionSet &reactions, const std::vector< fourdst::atomic::Species > &species, const std::vector< double > &Y, const double T9, const double rho) const override</div><div class="ttdef"><b>Definition</b> <a href="screening__weak_8cpp_source.html#l00022">screening_weak.cpp:22</a></div></div>
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<div class="ttc" id="aclassgridfire_1_1screening_1_1_screening_model_html"><div class="ttname"><a href="classgridfire_1_1screening_1_1_screening_model.html">gridfire::screening::ScreeningModel</a></div><div class="ttdoc">An abstract base class for plasma screening models.</div><div class="ttdef"><b>Definition</b> <a href="screening__abstract_8h_source.html#l00027">screening_abstract.h:27</a></div></div>
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<div class="ttc" id="aclassgridfire_1_1screening_1_1_weak_screening_model_html"><div class="ttname"><a href="classgridfire_1_1screening_1_1_weak_screening_model.html">gridfire::screening::WeakScreeningModel</a></div><div class="ttdoc">Implements the weak screening model based on the Debye-Hückel approximation.</div><div class="ttdef"><b>Definition</b> <a href="#l00026">screening_weak.h:26</a></div></div>
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<div class="ttc" id="aclassgridfire_1_1screening_1_1_weak_screening_model_html_a0a4d7d6d36dbe7b764b613d34f18386f"><div class="ttname"><a href="classgridfire_1_1screening_1_1_weak_screening_model.html#a0a4d7d6d36dbe7b764b613d34f18386f">gridfire::screening::WeakScreeningModel::m_logger</a></div><div class="ttdeci">quill::Logger * m_logger</div><div class="ttdoc">Logger instance for recording trace and debug information.</div><div class="ttdef"><b>Definition</b> <a href="#l00081">screening_weak.h:81</a></div></div>
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<div class="ttc" id="aclassgridfire_1_1screening_1_1_weak_screening_model_html_a2695206d46b9d2c2503f8e58c44df88f"><div class="ttname"><a href="classgridfire_1_1screening_1_1_weak_screening_model.html#a2695206d46b9d2c2503f8e58c44df88f">gridfire::screening::WeakScreeningModel::calculateFactors_impl</a></div><div class="ttdeci">std::vector< T > calculateFactors_impl(const reaction::LogicalReactionSet &reactions, const std::vector< fourdst::atomic::Species > &species, const std::vector< T > &Y, const T T9, const T rho) const</div><div class="ttdoc">Template implementation for calculating weak screening factors.</div><div class="ttdef"><b>Definition</b> <a href="#l00141">screening_weak.h:141</a></div></div>
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<div class="ttc" id="aclassgridfire_1_1screening_1_1_weak_screening_model_html_afbaeaefe6b3ab3ecf81889ddc1cff76c"><div class="ttname"><a href="classgridfire_1_1screening_1_1_weak_screening_model.html#afbaeaefe6b3ab3ecf81889ddc1cff76c">gridfire::screening::WeakScreeningModel::calculateScreeningFactors</a></div><div class="ttdeci">std::vector< double > calculateScreeningFactors(const reaction::LogicalReactionSet &reactions, const std::vector< fourdst::atomic::Species > &species, const std::vector< double > &Y, const double T9, const double rho) const override</div><div class="ttdoc">Calculates weak screening factors for a set of reactions.</div><div class="ttdef"><b>Definition</b> <a href="screening__weak_8cpp_source.html#l00022">screening_weak.cpp:22</a></div></div>
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<div class="ttc" id="anamespacegridfire_1_1reaction_html"><div class="ttname"><a href="namespacegridfire_1_1reaction.html">gridfire::reaction</a></div><div class="ttdef"><b>Definition</b> <a href="reaction_8h_source.html#l00025">reaction.h:25</a></div></div>
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<div class="ttc" id="anamespacegridfire_1_1reaction_html_aa86f08712565f278adacc7cd2361eb31"><div class="ttname"><a href="namespacegridfire_1_1reaction.html#aa86f08712565f278adacc7cd2361eb31">gridfire::reaction::LogicalReactionSet</a></div><div class="ttdeci">TemplatedReactionSet< LogicalReaction > LogicalReactionSet</div><div class="ttdoc">A set of logical reactions.</div><div class="ttdef"><b>Definition</b> <a href="reaction_8h_source.html#l00557">reaction.h:557</a></div></div>
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<div class="ttc" id="anamespacegridfire_1_1screening_html"><div class="ttname"><a href="namespacegridfire_1_1screening.html">gridfire::screening</a></div><div class="ttdef"><b>Definition</b> <a href="screening__abstract_8h_source.html#l00011">screening_abstract.h:11</a></div></div>
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