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<a href="partition__ground_8cpp.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="preprocessor">#include "<a class="code" href="partition__ground_8h.html">gridfire/partition/partition_ground.h</a>"</span></div>
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<div class="line"><a id="l00002" name="l00002"></a><span class="lineno"> 2</span> </div>
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<div class="line"><a id="l00003" name="l00003"></a><span class="lineno"> 3</span><span class="preprocessor">#include <ranges></span></div>
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<div class="line"><a id="l00004" name="l00004"></a><span class="lineno"> 4</span> </div>
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<div class="line"><a id="l00005" name="l00005"></a><span class="lineno"> 5</span><span class="preprocessor">#include "fourdst/logging/logging.h"</span></div>
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<div class="line"><a id="l00006" name="l00006"></a><span class="lineno"> 6</span><span class="preprocessor">#include "fourdst/composition/atomicSpecies.h"</span></div>
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<div class="line"><a id="l00007" name="l00007"></a><span class="lineno"> 7</span><span class="preprocessor">#include "fourdst/composition/species.h"</span></div>
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<div class="line"><a id="l00008" name="l00008"></a><span class="lineno"> 8</span> </div>
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<div class="line"><a id="l00009" name="l00009"></a><span class="lineno"> 9</span><span class="preprocessor">#include "quill/LogMacros.h"</span></div>
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<div class="line"><a id="l00010" name="l00010"></a><span class="lineno"> 10</span> </div>
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<div class="line"><a id="l00011" name="l00011"></a><span class="lineno"> 11</span><span class="keyword">namespace </span><a class="code hl_namespace" href="namespacegridfire_1_1partition.html">gridfire::partition</a> {</div>
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<div class="foldopen" id="foldopen00012" data-start="{" data-end="}">
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<div class="line"><a id="l00012" name="l00012"></a><span class="lineno"><a class="line" href="classgridfire_1_1partition_1_1_ground_state_partition_function.html#a8afa2aee993eb3ed8d01c887d39b57eb"> 12</a></span> <a class="code hl_function" href="classgridfire_1_1partition_1_1_ground_state_partition_function.html#a8afa2aee993eb3ed8d01c887d39b57eb">GroundStatePartitionFunction::GroundStatePartitionFunction</a>() {</div>
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<div class="line"><a id="l00013" name="l00013"></a><span class="lineno"> 13</span> <span class="keywordflow">for</span> (<span class="keyword">const</span> <span class="keyword">auto</span> &isotope: fourdst::atomic::species | std::views::values) {</div>
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<div class="line"><a id="l00014" name="l00014"></a><span class="lineno"> 14</span> <a class="code hl_variable" href="classgridfire_1_1partition_1_1_ground_state_partition_function.html#af7f710edff96b1623c517ddab137c245">m_ground_state_spin</a>[<a class="code hl_function" href="classgridfire_1_1partition_1_1_ground_state_partition_function.html#a99c80e2f4ba36e88e08e2abd650a08fb">make_key</a>(isotope.z(), isotope.a())] = isotope.spin();</div>
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<div class="line"><a id="l00015" name="l00015"></a><span class="lineno"> 15</span> }</div>
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<div class="line"><a id="l00016" name="l00016"></a><span class="lineno"> 16</span> }</div>
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</div>
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<div class="line"><a id="l00017" name="l00017"></a><span class="lineno"> 17</span> </div>
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<div class="foldopen" id="foldopen00018" data-start="{" data-end="}">
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<div class="line"><a id="l00018" name="l00018"></a><span class="lineno"><a class="line" href="classgridfire_1_1partition_1_1_ground_state_partition_function.html#af16da0015489307eb64639efbafbbdd5"> 18</a></span> <span class="keywordtype">double</span> <a class="code hl_function" href="classgridfire_1_1partition_1_1_ground_state_partition_function.html#af16da0015489307eb64639efbafbbdd5">GroundStatePartitionFunction::evaluate</a>(</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">int</span> z,</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">int</span> a,</div>
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<div class="line"><a id="l00021" name="l00021"></a><span class="lineno"> 21</span> <span class="keyword">const</span> <span class="keywordtype">double</span> T9</div>
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<div class="line"><a id="l00022" name="l00022"></a><span class="lineno"> 22</span> )<span class="keyword"> const </span>{</div>
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<div class="line"><a id="l00023" name="l00023"></a><span class="lineno"> 23</span> LOG_TRACE_L2(<a class="code hl_variable" href="classgridfire_1_1partition_1_1_ground_state_partition_function.html#aff8f82f918380795e98c30a00fcd939b">m_logger</a>, <span class="stringliteral">"Evaluating ground state partition function for Z={} A={} T9={}"</span>, z, a, T9);</div>
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<div class="line"><a id="l00024" name="l00024"></a><span class="lineno"> 24</span> <span class="keyword">const</span> <span class="keywordtype">int</span> key = <a class="code hl_function" href="classgridfire_1_1partition_1_1_ground_state_partition_function.html#a99c80e2f4ba36e88e08e2abd650a08fb">make_key</a>(z, a);</div>
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<div class="line"><a id="l00025" name="l00025"></a><span class="lineno"> 25</span> <span class="keyword">const</span> <span class="keywordtype">double</span> spin = <a class="code hl_variable" href="classgridfire_1_1partition_1_1_ground_state_partition_function.html#af7f710edff96b1623c517ddab137c245">m_ground_state_spin</a>.at(key);</div>
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<div class="line"><a id="l00026" name="l00026"></a><span class="lineno"> 26</span> <span class="keywordflow">return</span> (2.0 * spin) + 1.0;</div>
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<div class="line"><a id="l00027" name="l00027"></a><span class="lineno"> 27</span> }</div>
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</div>
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<div class="line"><a id="l00028" name="l00028"></a><span class="lineno"> 28</span> </div>
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<div class="foldopen" id="foldopen00029" data-start="{" data-end="}">
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<div class="line"><a id="l00029" name="l00029"></a><span class="lineno"><a class="line" href="classgridfire_1_1partition_1_1_ground_state_partition_function.html#a0eff10c7b134d9d4081ad72bbc785c5b"> 29</a></span> <span class="keywordtype">double</span> <a class="code hl_function" href="classgridfire_1_1partition_1_1_ground_state_partition_function.html#a0eff10c7b134d9d4081ad72bbc785c5b">GroundStatePartitionFunction::evaluateDerivative</a>(</div>
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<div class="line"><a id="l00030" name="l00030"></a><span class="lineno"> 30</span> <span class="keyword">const</span> <span class="keywordtype">int</span> z,</div>
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<div class="line"><a id="l00031" name="l00031"></a><span class="lineno"> 31</span> <span class="keyword">const</span> <span class="keywordtype">int</span> a,</div>
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<div class="line"><a id="l00032" name="l00032"></a><span class="lineno"> 32</span> <span class="keyword">const</span> <span class="keywordtype">double</span> T9</div>
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<div class="line"><a id="l00033" name="l00033"></a><span class="lineno"> 33</span> )<span class="keyword"> const </span>{</div>
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<div class="line"><a id="l00034" name="l00034"></a><span class="lineno"> 34</span> LOG_TRACE_L2(<a class="code hl_variable" href="classgridfire_1_1partition_1_1_ground_state_partition_function.html#aff8f82f918380795e98c30a00fcd939b">m_logger</a>, <span class="stringliteral">"Evaluating derivative of ground state partition function for Z={} A={} T9={}"</span>, z, a, T9);</div>
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<div class="line"><a id="l00035" name="l00035"></a><span class="lineno"> 35</span> <span class="keywordflow">return</span> 0.0;</div>
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<div class="line"><a id="l00036" name="l00036"></a><span class="lineno"> 36</span> }</div>
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</div>
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<div class="line"><a id="l00037" name="l00037"></a><span class="lineno"> 37</span> </div>
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<div class="foldopen" id="foldopen00038" data-start="{" data-end="}">
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<div class="line"><a id="l00038" name="l00038"></a><span class="lineno"><a class="line" href="classgridfire_1_1partition_1_1_ground_state_partition_function.html#a49b18aae58eb6250aaa23d43d55f02bd"> 38</a></span> <span class="keywordtype">bool</span> <a class="code hl_function" href="classgridfire_1_1partition_1_1_ground_state_partition_function.html#a49b18aae58eb6250aaa23d43d55f02bd">GroundStatePartitionFunction::supports</a>(</div>
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<div class="line"><a id="l00039" name="l00039"></a><span class="lineno"> 39</span> <span class="keyword">const</span> <span class="keywordtype">int</span> z,</div>
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<div class="line"><a id="l00040" name="l00040"></a><span class="lineno"> 40</span> <span class="keyword">const</span> <span class="keywordtype">int</span> a</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> <span class="keywordflow">return</span> <a class="code hl_variable" href="classgridfire_1_1partition_1_1_ground_state_partition_function.html#af7f710edff96b1623c517ddab137c245">m_ground_state_spin</a>.contains(<a class="code hl_function" href="classgridfire_1_1partition_1_1_ground_state_partition_function.html#a99c80e2f4ba36e88e08e2abd650a08fb">make_key</a>(z, a));</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>
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<div class="foldopen" id="foldopen00044" data-start="{" data-end="}">
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<div class="line"><a id="l00044" name="l00044"></a><span class="lineno"><a class="line" href="classgridfire_1_1partition_1_1_ground_state_partition_function.html#a99c80e2f4ba36e88e08e2abd650a08fb"> 44</a></span> <span class="keyword">constexpr</span> <span class="keywordtype">int</span> <a class="code hl_function" href="classgridfire_1_1partition_1_1_ground_state_partition_function.html#a99c80e2f4ba36e88e08e2abd650a08fb">GroundStatePartitionFunction::make_key</a>(</div>
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<div class="line"><a id="l00045" name="l00045"></a><span class="lineno"> 45</span> <span class="keyword">const</span> <span class="keywordtype">int</span> z,</div>
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<div class="line"><a id="l00046" name="l00046"></a><span class="lineno"> 46</span> <span class="keyword">const</span> <span class="keywordtype">int</span> a</div>
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<div class="line"><a id="l00047" name="l00047"></a><span class="lineno"> 47</span> ) {</div>
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<div class="line"><a id="l00048" name="l00048"></a><span class="lineno"> 48</span> <span class="keywordflow">return</span> z * 1000 + a; <span class="comment">// Simple key generation for Z and A</span></div>
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<div class="line"><a id="l00049" name="l00049"></a><span class="lineno"> 49</span> }</div>
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</div>
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<div class="line"><a id="l00050" name="l00050"></a><span class="lineno"> 50</span>}</div>
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<div class="ttc" id="aclassgridfire_1_1partition_1_1_ground_state_partition_function_html_a0eff10c7b134d9d4081ad72bbc785c5b"><div class="ttname"><a href="classgridfire_1_1partition_1_1_ground_state_partition_function.html#a0eff10c7b134d9d4081ad72bbc785c5b">gridfire::partition::GroundStatePartitionFunction::evaluateDerivative</a></div><div class="ttdeci">double evaluateDerivative(const int z, const int a, const double T9) const override</div><div class="ttdef"><b>Definition</b> <a href="#l00029">partition_ground.cpp:29</a></div></div>
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<div class="ttc" id="aclassgridfire_1_1partition_1_1_ground_state_partition_function_html_a49b18aae58eb6250aaa23d43d55f02bd"><div class="ttname"><a href="classgridfire_1_1partition_1_1_ground_state_partition_function.html#a49b18aae58eb6250aaa23d43d55f02bd">gridfire::partition::GroundStatePartitionFunction::supports</a></div><div class="ttdeci">bool supports(const int z, const int a) const override</div><div class="ttdef"><b>Definition</b> <a href="#l00038">partition_ground.cpp:38</a></div></div>
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<div class="ttc" id="aclassgridfire_1_1partition_1_1_ground_state_partition_function_html_a8afa2aee993eb3ed8d01c887d39b57eb"><div class="ttname"><a href="classgridfire_1_1partition_1_1_ground_state_partition_function.html#a8afa2aee993eb3ed8d01c887d39b57eb">gridfire::partition::GroundStatePartitionFunction::GroundStatePartitionFunction</a></div><div class="ttdeci">GroundStatePartitionFunction()</div><div class="ttdef"><b>Definition</b> <a href="#l00012">partition_ground.cpp:12</a></div></div>
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<div class="ttc" id="aclassgridfire_1_1partition_1_1_ground_state_partition_function_html_a99c80e2f4ba36e88e08e2abd650a08fb"><div class="ttname"><a href="classgridfire_1_1partition_1_1_ground_state_partition_function.html#a99c80e2f4ba36e88e08e2abd650a08fb">gridfire::partition::GroundStatePartitionFunction::make_key</a></div><div class="ttdeci">static constexpr int make_key(const int z, const int a)</div><div class="ttdef"><b>Definition</b> <a href="#l00044">partition_ground.cpp:44</a></div></div>
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<div class="ttc" id="aclassgridfire_1_1partition_1_1_ground_state_partition_function_html_af16da0015489307eb64639efbafbbdd5"><div class="ttname"><a href="classgridfire_1_1partition_1_1_ground_state_partition_function.html#af16da0015489307eb64639efbafbbdd5">gridfire::partition::GroundStatePartitionFunction::evaluate</a></div><div class="ttdeci">double evaluate(const int z, const int a, const double T9) const override</div><div class="ttdef"><b>Definition</b> <a href="#l00018">partition_ground.cpp:18</a></div></div>
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<div class="ttc" id="aclassgridfire_1_1partition_1_1_ground_state_partition_function_html_af7f710edff96b1623c517ddab137c245"><div class="ttname"><a href="classgridfire_1_1partition_1_1_ground_state_partition_function.html#af7f710edff96b1623c517ddab137c245">gridfire::partition::GroundStatePartitionFunction::m_ground_state_spin</a></div><div class="ttdeci">std::unordered_map< int, double > m_ground_state_spin</div><div class="ttdef"><b>Definition</b> <a href="partition__ground_8h_source.html#l00093">partition_ground.h:93</a></div></div>
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