tboudreaux/GridFire
1
0
Fork 0
Code Issues Pull Requests Actions Packages Projects Releases Wiki Activity
Files
main
GridFire/docs/html/partition__rauscher__thielemann_8cpp_source.html

309 lines
52 KiB
HTML
Raw Permalink Normal View History

docs(docs): asdded and cleaned up docs
2025-07-24 11:10:45 -04:00
<!DOCTYPE html PUBLIC "-//W3C//DTD XHTML 1.0 Transitional//EN" "https://www.w3.org/TR/xhtml1/DTD/xhtml1-transitional.dtd">
<html xmlns="http://www.w3.org/1999/xhtml" lang="en-US">
<head>
<meta http-equiv="Content-Type" content="text/xhtml;charset=UTF-8"/>
<meta http-equiv="X-UA-Compatible" content="IE=11"/>
<meta name="generator" content="Doxygen 1.13.2"/>
<meta name="viewport" content="width=device-width, initial-scale=1"/>
<title>GridFire: src/lib/partition/partition_rauscher_thielemann.cpp Source File</title>
<link href="tabs.css" rel="stylesheet" type="text/css"/>
<script type="text/javascript" src="jquery.js"></script>
<script type="text/javascript" src="dynsections.js"></script>
<script type="text/javascript" src="clipboard.js"></script>
<link href="navtree.css" rel="stylesheet" type="text/css"/>
<script type="text/javascript" src="navtreedata.js"></script>
<script type="text/javascript" src="navtree.js"></script>
<script type="text/javascript" src="resize.js"></script>
<script type="text/javascript" src="cookie.js"></script>
<link href="search/search.css" rel="stylesheet" type="text/css"/>
<script type="text/javascript" src="search/searchdata.js"></script>
<script type="text/javascript" src="search/search.js"></script>
<link href="doxygen.css" rel="stylesheet" type="text/css" />
<link href="doxygen-awesome.css" rel="stylesheet" type="text/css"/>
<link href="doxygen-awesome-sidebar-only.css" rel="stylesheet" type="text/css"/>
</head>
<body>
<div id="top"><!-- do not remove this div, it is closed by doxygen! -->
<div id="titlearea">
<table cellspacing="0" cellpadding="0">
<tbody>
<tr id="projectrow">
<td id="projectalign">
<div id="projectname">GridFire<span id="projectnumber">&#160;0.0.1a</span>
</div>
<div id="projectbrief">General Purpose Nuclear Network</div>
</td>
</tr>
</tbody>
</table>
</div>
<!-- end header part -->
<!-- Generated by Doxygen 1.13.2 -->
<script type="text/javascript">
/* @license magnet:?xt=urn:btih:d3d9a9a6595521f9666a5e94cc830dab83b65699&amp;dn=expat.txt MIT */
var searchBox = new SearchBox("searchBox", "search/",'.html');
/* @license-end */
</script>
<script type="text/javascript">
/* @license magnet:?xt=urn:btih:d3d9a9a6595521f9666a5e94cc830dab83b65699&amp;dn=expat.txt MIT */
$(function() { codefold.init(0); });
/* @license-end */
</script>
<script type="text/javascript" src="menudata.js"></script>
<script type="text/javascript" src="menu.js"></script>
<script type="text/javascript">
/* @license magnet:?xt=urn:btih:d3d9a9a6595521f9666a5e94cc830dab83b65699&amp;dn=expat.txt MIT */
$(function() {
initMenu('',true,false,'search.php','Search',true);
$(function() { init_search(); });
});
/* @license-end */
</script>
<div id="main-nav"></div>
</div><!-- top -->
<div id="side-nav" class="ui-resizable side-nav-resizable">
<div id="nav-tree">
<div id="nav-tree-contents">
<div id="nav-sync" class="sync"></div>
</div>
</div>
<div id="splitbar" style="-moz-user-select:none;"
class="ui-resizable-handle">
</div>
</div>
<script type="text/javascript">
/* @license magnet:?xt=urn:btih:d3d9a9a6595521f9666a5e94cc830dab83b65699&amp;dn=expat.txt MIT */
$(function(){initNavTree('partition__rauscher__thielemann_8cpp_source.html',''); initResizable(true); });
/* @license-end */
</script>
<div id="doc-content">
<!-- window showing the filter options -->
<div id="MSearchSelectWindow"
onmouseover="return searchBox.OnSearchSelectShow()"
onmouseout="return searchBox.OnSearchSelectHide()"
onkeydown="return searchBox.OnSearchSelectKey(event)">
</div>
<!-- iframe showing the search results (closed by default) -->
<div id="MSearchResultsWindow">
<div id="MSearchResults">
<div class="SRPage">
<div id="SRIndex">
<div id="SRResults"></div>
<div class="SRStatus" id="Loading">Loading...</div>
<div class="SRStatus" id="Searching">Searching...</div>
<div class="SRStatus" id="NoMatches">No Matches</div>
</div>
</div>
</div>
</div>
<div class="header">
<div class="headertitle"><div class="title">partition_rauscher_thielemann.cpp</div></div>
</div><!--header-->
<div class="contents">
<a href="partition__rauscher__thielemann_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 &quot;<a class="code" href="partition__rauscher__thielemann_8h.html">gridfire/partition/partition_rauscher_thielemann.h</a>&quot;</span></div>
<div class="line"><a id="l00002" name="l00002"></a><span class="lineno"> 2</span><span class="preprocessor">#include &quot;<a class="code" href="rauscher__thielemann__partition__data_8h.html">gridfire/partition/rauscher_thielemann_partition_data.h</a>&quot;</span></div>
<div class="line"><a id="l00003" name="l00003"></a><span class="lineno"> 3</span><span class="preprocessor">#include &quot;<a class="code" href="rauscher__thielemann__partition__data__record_8h.html">gridfire/partition/rauscher_thielemann_partition_data_record.h</a>&quot;</span></div>
<div class="line"><a id="l00004" name="l00004"></a><span class="lineno"> 4</span> </div>
<div class="line"><a id="l00005" name="l00005"></a><span class="lineno"> 5</span><span class="preprocessor">#include &quot;fourdst/logging/logging.h&quot;</span></div>
<div class="line"><a id="l00006" name="l00006"></a><span class="lineno"> 6</span><span class="preprocessor">#include &quot;quill/LogMacros.h&quot;</span></div>
<div class="line"><a id="l00007" name="l00007"></a><span class="lineno"> 7</span> </div>
<div class="line"><a id="l00008" name="l00008"></a><span class="lineno"> 8</span><span class="preprocessor">#include &lt;stdexcept&gt;</span></div>
<div class="line"><a id="l00009" name="l00009"></a><span class="lineno"> 9</span><span class="preprocessor">#include &lt;algorithm&gt;</span></div>
<div class="line"><a id="l00010" name="l00010"></a><span class="lineno"> 10</span><span class="preprocessor">#include &lt;vector&gt;</span></div>
<div class="line"><a id="l00011" name="l00011"></a><span class="lineno"> 11</span><span class="preprocessor">#include &lt;array&gt;</span></div>
<div class="line"><a id="l00012" name="l00012"></a><span class="lineno"> 12</span><span class="preprocessor">#include &lt;iostream&gt;</span></div>
<div class="line"><a id="l00013" name="l00013"></a><span class="lineno"> 13</span> </div>
<div class="line"><a id="l00014" name="l00014"></a><span class="lineno"> 14</span><span class="keyword">namespace </span><a class="code hl_namespace" href="namespacegridfire_1_1partition.html">gridfire::partition</a> {</div>
<div class="foldopen" id="foldopen00015" data-start="{" data-end="};">
<div class="line"><a id="l00015" name="l00015"></a><span class="lineno"><a class="line" href="namespacegridfire_1_1partition.html#a1e08a3c20c55bc6fa4a4ecdf7ea57b8f"> 15</a></span> <span class="keyword">static</span> <span class="keyword">constexpr</span> std::array&lt;double, 24&gt; <a class="code hl_variable" href="namespacegridfire_1_1partition.html#a1e08a3c20c55bc6fa4a4ecdf7ea57b8f">RT_TEMPERATURE_GRID_T9</a> = {</div>
<div class="line"><a id="l00016" name="l00016"></a><span class="lineno"> 16</span> 0.01, 0.15, 0.2, 0.3, 0.4, 0.5, 0.6, 0.7, 0.8, 0.9, 1.0, 1.5,</div>
<div class="line"><a id="l00017" name="l00017"></a><span class="lineno"> 17</span> 2.0, 2.5, 3.0, 3.5, 4.0, 4.5, 5.0, 6.0, 7.0, 8.0, 9.0, 10.0</div>
<div class="line"><a id="l00018" name="l00018"></a><span class="lineno"> 18</span> };</div>
</div>
<div class="line"><a id="l00019" name="l00019"></a><span class="lineno"> 19</span> </div>
<div class="foldopen" id="foldopen00020" data-start="{" data-end="}">
<div class="line"><a id="l00020" name="l00020"></a><span class="lineno"><a class="line" href="classgridfire_1_1partition_1_1_rauscher_thielemann_partition_function.html#ae67464baee3b12cdc0470be74524866c"> 20</a></span> <a class="code hl_function" href="classgridfire_1_1partition_1_1_rauscher_thielemann_partition_function.html#ae67464baee3b12cdc0470be74524866c">RauscherThielemannPartitionFunction::RauscherThielemannPartitionFunction</a>() {</div>
<div class="line"><a id="l00021" name="l00021"></a><span class="lineno"> 21</span> <span class="keyword">constexpr</span> <span class="keywordtype">size_t</span> numRecords = <a class="code hl_variable" href="rauscher__thielemann__partition__data_8h.html#a5240736f3bdb43cf2cd63464c5835df1">rauscher_thielemann_partition_data_len</a> / <span class="keyword">sizeof</span>(<a class="code hl_struct" href="structgridfire_1_1partition_1_1record_1_1_rauscher_thielemann_partition_data_record.html">record::RauscherThielemannPartitionDataRecord</a>);</div>
<div class="line"><a id="l00022" name="l00022"></a><span class="lineno"> 22</span> <a class="code hl_variable" href="classgridfire_1_1partition_1_1_rauscher_thielemann_partition_function.html#a50ce19df4c12e22bbcb61422248a4038">m_partitionData</a>.reserve(numRecords);</div>
<div class="line"><a id="l00023" name="l00023"></a><span class="lineno"> 23</span> <span class="keyword">const</span> <span class="keyword">auto</span>* records = <span class="keyword">reinterpret_cast&lt;</span><span class="keyword">const </span><a class="code hl_struct" href="structgridfire_1_1partition_1_1record_1_1_rauscher_thielemann_partition_data_record.html">record::RauscherThielemannPartitionDataRecord</a>*<span class="keyword">&gt;</span>(<a class="code hl_variable" href="rauscher__thielemann__partition__data_8h.html#a7b9a54e9c58848fe3205479acd770ffd">rauscher_thielemann_partition_data</a>);</div>
<div class="line"><a id="l00024" name="l00024"></a><span class="lineno"> 24</span> <span class="keywordflow">for</span> (<span class="keywordtype">size_t</span> i = 0; i &lt; numRecords; ++i) {</div>
<div class="line"><a id="l00025" name="l00025"></a><span class="lineno"> 25</span> <span class="keyword">const</span> <span class="keyword">auto</span>&amp;[z, a, ground_state_spin, normalized_g_values] = records[i];</div>
<div class="line"><a id="l00026" name="l00026"></a><span class="lineno"> 26</span> <a class="code hl_struct" href="structgridfire_1_1partition_1_1_rauscher_thielemann_partition_function_1_1_isotope_data.html">IsotopeData</a> data;</div>
<div class="line"><a id="l00027" name="l00027"></a><span class="lineno"> 27</span> data.<a class="code hl_variable" href="structgridfire_1_1partition_1_1_rauscher_thielemann_partition_function_1_1_isotope_data.html#aec714697f3f5102124561252233fc350">ground_state_spin</a> = ground_state_spin;</div>
<div class="line"><a id="l00028" name="l00028"></a><span class="lineno"> 28</span> std::ranges::copy(normalized_g_values, data.<a class="code hl_variable" href="structgridfire_1_1partition_1_1_rauscher_thielemann_partition_function_1_1_isotope_data.html#aea71e9198606e0ba393321178f988fcc">normalized_g_values</a>.begin());</div>
<div class="line"><a id="l00029" name="l00029"></a><span class="lineno"> 29</span> <span class="keyword">const</span> <span class="keywordtype">int</span> key = <a class="code hl_function" href="classgridfire_1_1partition_1_1_rauscher_thielemann_partition_function.html#ac58b95c8530f69f063c8ed8293487aec">make_key</a>(z, a);</div>
<div class="line"><a id="l00030" name="l00030"></a><span class="lineno"> 30</span> LOG_TRACE_L3_LIMIT_EVERY_N(</div>
<div class="line"><a id="l00031" name="l00031"></a><span class="lineno"> 31</span> 100,</div>
<div class="line"><a id="l00032" name="l00032"></a><span class="lineno"> 32</span> <a class="code hl_variable" href="classgridfire_1_1partition_1_1_rauscher_thielemann_partition_function.html#a57384ffb1c81cf982614d90e23b173b6">m_logger</a>,</div>
<div class="line"><a id="l00033" name="l00033"></a><span class="lineno"> 33</span> <span class="stringliteral">&quot;(EVERY 100) Adding Rauscher-Thielemann partition data for Z={} A={} (key={})&quot;</span>,</div>
<div class="line"><a id="l00034" name="l00034"></a><span class="lineno"> 34</span> z,</div>
<div class="line"><a id="l00035" name="l00035"></a><span class="lineno"> 35</span> a,</div>
<div class="line"><a id="l00036" name="l00036"></a><span class="lineno"> 36</span> key</div>
<div class="line"><a id="l00037" name="l00037"></a><span class="lineno"> 37</span> );</div>
<div class="line"><a id="l00038" name="l00038"></a><span class="lineno"> 38</span> </div>
<div class="line"><a id="l00039" name="l00039"></a><span class="lineno"> 39</span> <a class="code hl_variable" href="classgridfire_1_1partition_1_1_rauscher_thielemann_partition_function.html#a50ce19df4c12e22bbcb61422248a4038">m_partitionData</a>[key] = std::move(data);</div>
<div class="line"><a id="l00040" name="l00040"></a><span class="lineno"> 40</span> }</div>
<div class="line"><a id="l00041" name="l00041"></a><span class="lineno"> 41</span> }</div>
</div>
<div class="line"><a id="l00042" name="l00042"></a><span class="lineno"> 42</span> </div>
<div class="foldopen" id="foldopen00043" data-start="{" data-end="}">
<div class="line"><a id="l00043" name="l00043"></a><span class="lineno"><a class="line" href="classgridfire_1_1partition_1_1_rauscher_thielemann_partition_function.html#aebe49d06b50a18ea4484ff15cb301681"> 43</a></span> <span class="keywordtype">double</span> <a class="code hl_function" href="classgridfire_1_1partition_1_1_rauscher_thielemann_partition_function.html#aebe49d06b50a18ea4484ff15cb301681">RauscherThielemannPartitionFunction::evaluate</a>(</div>
<div class="line"><a id="l00044" name="l00044"></a><span class="lineno"> 44</span> <span class="keyword">const</span> <span class="keywordtype">int</span> z,</div>
<div class="line"><a id="l00045" name="l00045"></a><span class="lineno"> 45</span> <span class="keyword">const</span> <span class="keywordtype">int</span> a,</div>
<div class="line"><a id="l00046" name="l00046"></a><span class="lineno"> 46</span> <span class="keyword">const</span> <span class="keywordtype">double</span> T9</div>
<div class="line"><a id="l00047" name="l00047"></a><span class="lineno"> 47</span> )<span class="keyword"> const </span>{</div>
<div class="line"><a id="l00048" name="l00048"></a><span class="lineno"> 48</span> LOG_TRACE_L2(<a class="code hl_variable" href="classgridfire_1_1partition_1_1_rauscher_thielemann_partition_function.html#a57384ffb1c81cf982614d90e23b173b6">m_logger</a>, <span class="stringliteral">&quot;Evaluating Rauscher-Thielemann partition function for Z={} A={} T9={}&quot;</span>, z, a, T9);</div>
<div class="line"><a id="l00049" name="l00049"></a><span class="lineno"> 49</span> </div>
<div class="line"><a id="l00050" name="l00050"></a><span class="lineno"> 50</span> <span class="keyword">const</span> <span class="keyword">auto</span> [bound, data, upperIndex, lowerIndex] = <a class="code hl_function" href="classgridfire_1_1partition_1_1_rauscher_thielemann_partition_function.html#a12058e121981294f447e69a467fd84cd">find</a>(z, a, T9);</div>
<div class="line"><a id="l00051" name="l00051"></a><span class="lineno"> 51</span> </div>
<div class="line"><a id="l00052" name="l00052"></a><span class="lineno"> 52</span> <span class="keywordflow">switch</span> (bound) {</div>
<div class="line"><a id="l00053" name="l00053"></a><span class="lineno"> 53</span> <span class="keywordflow">case</span> <a class="code hl_enumvalue" href="classgridfire_1_1partition_1_1_rauscher_thielemann_partition_function.html#a7002ebbef966f89b2426f5ea0df33329aa692ae3131928d57ddcd2408d6b44d71">FRONT</a>: {</div>
<div class="line"><a id="l00054" name="l00054"></a><span class="lineno"> 54</span> LOG_TRACE_L2(<a class="code hl_variable" href="classgridfire_1_1partition_1_1_rauscher_thielemann_partition_function.html#a57384ffb1c81cf982614d90e23b173b6">m_logger</a>, <span class="stringliteral">&quot;Using FRONT bound for Z={} A={} T9={}&quot;</span>, z, a, T9);</div>
<div class="line"><a id="l00055" name="l00055"></a><span class="lineno"> 55</span> <span class="keywordflow">return</span> data.normalized_g_values.front() * (2.0 * data.ground_state_spin + 1.0);</div>
<div class="line"><a id="l00056" name="l00056"></a><span class="lineno"> 56</span> }</div>
<div class="line"><a id="l00057" name="l00057"></a><span class="lineno"> 57</span> <span class="keywordflow">case</span> <a class="code hl_enumvalue" href="classgridfire_1_1partition_1_1_rauscher_thielemann_partition_function.html#a7002ebbef966f89b2426f5ea0df33329ad8c6323fcc54dfc5319fbd935ae4f75d">BACK</a>: {</div>
<div class="line"><a id="l00058" name="l00058"></a><span class="lineno"> 58</span> LOG_TRACE_L2(<a class="code hl_variable" href="classgridfire_1_1partition_1_1_rauscher_thielemann_partition_function.html#a57384ffb1c81cf982614d90e23b173b6">m_logger</a>, <span class="stringliteral">&quot;Using BACK bound for Z={} A={} T9={}&quot;</span>, z, a, T9);</div>
<div class="line"><a id="l00059" name="l00059"></a><span class="lineno"> 59</span> <span class="keywordflow">return</span> data.normalized_g_values.back() * (2.0 * data.ground_state_spin + 1.0);</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="keywordflow">case</span> <a class="code hl_enumvalue" href="classgridfire_1_1partition_1_1_rauscher_thielemann_partition_function.html#a7002ebbef966f89b2426f5ea0df33329abb276a700ba6a5b912fa0bf0a668d735">MIDDLE</a>: {</div>
<div class="line"><a id="l00062" name="l00062"></a><span class="lineno"> 62</span> LOG_TRACE_L2(<a class="code hl_variable" href="classgridfire_1_1partition_1_1_rauscher_thielemann_partition_function.html#a57384ffb1c81cf982614d90e23b173b6">m_logger</a>, <span class="stringliteral">&quot;Using MIDDLE bound for Z={} A={} T9={}&quot;</span>, z, a, T9);</div>
<div class="line"><a id="l00063" name="l00063"></a><span class="lineno"> 63</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> </div>
<div class="line"><a id="l00066" name="l00066"></a><span class="lineno"> 66</span> <span class="keyword">const</span> <span class="keyword">auto</span> [T9_high, G_norm_high, T9_low, G_norm_low] = <a class="code hl_function" href="classgridfire_1_1partition_1_1_rauscher_thielemann_partition_function.html#a3baed110ab1b12e22071dc2d92c55db9">get_interpolation_points</a>(</div>
<div class="line"><a id="l00067" name="l00067"></a><span class="lineno"> 67</span> upperIndex,</div>
<div class="line"><a id="l00068" name="l00068"></a><span class="lineno"> 68</span> lowerIndex,</div>
<div class="line"><a id="l00069" name="l00069"></a><span class="lineno"> 69</span> data.normalized_g_values</div>
<div class="line"><a id="l00070" name="l00070"></a><span class="lineno"> 70</span> );</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"> 72</span> <span class="keyword">const</span> <span class="keywordtype">double</span> frac = (T9 - T9_low) / (T9_high - T9_low);</div>
<div class="line"><a id="l00073" name="l00073"></a><span class="lineno"> 73</span> <span class="keyword">const</span> <span class="keywordtype">double</span> interpolated_g_norm = G_norm_low + frac * (G_norm_high - G_norm_low);</div>
<div class="line"><a id="l00074" name="l00074"></a><span class="lineno"> 74</span> </div>
<div class="line"><a id="l00075" name="l00075"></a><span class="lineno"> 75</span> <span class="keywordflow">return</span> interpolated_g_norm * (2.0 * data.ground_state_spin + 1.0);</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="foldopen" id="foldopen00078" data-start="{" data-end="}">
<div class="line"><a id="l00078" name="l00078"></a><span class="lineno"><a class="line" href="classgridfire_1_1partition_1_1_rauscher_thielemann_partition_function.html#aaa1e11579b44a88c5f18943cc303c4b4"> 78</a></span> <span class="keywordtype">double</span> <a class="code hl_function" href="classgridfire_1_1partition_1_1_rauscher_thielemann_partition_function.html#aaa1e11579b44a88c5f18943cc303c4b4">RauscherThielemannPartitionFunction::evaluateDerivative</a>(</div>
<div class="line"><a id="l00079" name="l00079"></a><span class="lineno"> 79</span> <span class="keyword">const</span> <span class="keywordtype">int</span> z,</div>
<div class="line"><a id="l00080" name="l00080"></a><span class="lineno"> 80</span> <span class="keyword">const</span> <span class="keywordtype">int</span> a,</div>
<div class="line"><a id="l00081" name="l00081"></a><span class="lineno"> 81</span> <span class="keyword">const</span> <span class="keywordtype">double</span> T9</div>
<div class="line"><a id="l00082" name="l00082"></a><span class="lineno"> 82</span> )<span class="keyword"> const </span>{</div>
<div class="line"><a id="l00083" name="l00083"></a><span class="lineno"> 83</span> LOG_TRACE_L2(<a class="code hl_variable" href="classgridfire_1_1partition_1_1_rauscher_thielemann_partition_function.html#a57384ffb1c81cf982614d90e23b173b6">m_logger</a>, <span class="stringliteral">&quot;Evaluating derivative of Rauscher-Thielemann partition function for Z={} A={} T9={}&quot;</span>, z, a, T9);</div>
<div class="line"><a id="l00084" name="l00084"></a><span class="lineno"> 84</span> <span class="keyword">const</span> <span class="keyword">auto</span> [bound, data, upperIndex, lowerIndex] = <a class="code hl_function" href="classgridfire_1_1partition_1_1_rauscher_thielemann_partition_function.html#a12058e121981294f447e69a467fd84cd">find</a>(z, a, T9);</div>
<div class="line"><a id="l00085" name="l00085"></a><span class="lineno"> 85</span> <span class="keywordflow">if</span> (bound == <a class="code hl_enumvalue" href="classgridfire_1_1partition_1_1_rauscher_thielemann_partition_function.html#a7002ebbef966f89b2426f5ea0df33329aa692ae3131928d57ddcd2408d6b44d71">FRONT</a> || bound == <a class="code hl_enumvalue" href="classgridfire_1_1partition_1_1_rauscher_thielemann_partition_function.html#a7002ebbef966f89b2426f5ea0df33329ad8c6323fcc54dfc5319fbd935ae4f75d">BACK</a>) {</div>
<div class="line"><a id="l00086" name="l00086"></a><span class="lineno"> 86</span> LOG_TRACE_L2(<a class="code hl_variable" href="classgridfire_1_1partition_1_1_rauscher_thielemann_partition_function.html#a57384ffb1c81cf982614d90e23b173b6">m_logger</a>, <span class="stringliteral">&quot;Derivative is zero for Z={} A={} T9={} (bound: {})&quot;</span>, z, a, T9, bound == <a class="code hl_enumvalue" href="classgridfire_1_1partition_1_1_rauscher_thielemann_partition_function.html#a7002ebbef966f89b2426f5ea0df33329aa692ae3131928d57ddcd2408d6b44d71">FRONT</a> ? <span class="stringliteral">&quot;FRONT&quot;</span> : <span class="stringliteral">&quot;BACK&quot;</span>);</div>
<div class="line"><a id="l00087" name="l00087"></a><span class="lineno"> 87</span> <span class="keywordflow">return</span> 0.0; <span class="comment">// Derivative is zero at the boundaries</span></div>
<div class="line"><a id="l00088" name="l00088"></a><span class="lineno"> 88</span> }</div>
<div class="line"><a id="l00089" name="l00089"></a><span class="lineno"> 89</span> <span class="keyword">const</span> <span class="keyword">auto</span> [T9_high, G_norm_high, T9_low, G_norm_low] = <a class="code hl_function" href="classgridfire_1_1partition_1_1_rauscher_thielemann_partition_function.html#a3baed110ab1b12e22071dc2d92c55db9">get_interpolation_points</a>(</div>
<div class="line"><a id="l00090" name="l00090"></a><span class="lineno"> 90</span> upperIndex,</div>
<div class="line"><a id="l00091" name="l00091"></a><span class="lineno"> 91</span> lowerIndex,</div>
<div class="line"><a id="l00092" name="l00092"></a><span class="lineno"> 92</span> data.normalized_g_values</div>
<div class="line"><a id="l00093" name="l00093"></a><span class="lineno"> 93</span> );</div>
<div class="line"><a id="l00094" name="l00094"></a><span class="lineno"> 94</span> <span class="keyword">const</span> <span class="keywordtype">double</span> slope_g_norm = (G_norm_high - G_norm_low) / (T9_high - T9_low);</div>
<div class="line"><a id="l00095" name="l00095"></a><span class="lineno"> 95</span> <span class="keywordflow">return</span> slope_g_norm * (2.0 * data.ground_state_spin + 1.0);</div>
<div class="line"><a id="l00096" name="l00096"></a><span class="lineno"> 96</span> }</div>
</div>
<div class="line"><a id="l00097" name="l00097"></a><span class="lineno"> 97</span> </div>
<div class="foldopen" id="foldopen00098" data-start="{" data-end="}">
<div class="line"><a id="l00098" name="l00098"></a><span class="lineno"><a class="line" href="classgridfire_1_1partition_1_1_rauscher_thielemann_partition_function.html#a588a11c654751765b04d6425c99041f5"> 98</a></span> <span class="keywordtype">bool</span> <a class="code hl_function" href="classgridfire_1_1partition_1_1_rauscher_thielemann_partition_function.html#a588a11c654751765b04d6425c99041f5">RauscherThielemannPartitionFunction::supports</a>(</div>
<div class="line"><a id="l00099" name="l00099"></a><span class="lineno"> 99</span> <span class="keyword">const</span> <span class="keywordtype">int</span> z,</div>
<div class="line"><a id="l00100" name="l00100"></a><span class="lineno"> 100</span> <span class="keyword">const</span> <span class="keywordtype">int</span> a</div>
<div class="line"><a id="l00101" name="l00101"></a><span class="lineno"> 101</span> )<span class="keyword"> const </span>{</div>
<div class="line"><a id="l00102" name="l00102"></a><span class="lineno"> 102</span> <span class="keywordflow">return</span> <a class="code hl_variable" href="classgridfire_1_1partition_1_1_rauscher_thielemann_partition_function.html#a50ce19df4c12e22bbcb61422248a4038">m_partitionData</a>.contains(<a class="code hl_function" href="classgridfire_1_1partition_1_1_rauscher_thielemann_partition_function.html#ac58b95c8530f69f063c8ed8293487aec">make_key</a>(z, a));</div>
<div class="line"><a id="l00103" name="l00103"></a><span class="lineno"> 103</span> }</div>
</div>
<div class="line"><a id="l00104" name="l00104"></a><span class="lineno"> 104</span> </div>
<div class="foldopen" id="foldopen00105" data-start="{" data-end="}">
<div class="line"><a id="l00105" name="l00105"></a><span class="lineno"><a class="line" href="classgridfire_1_1partition_1_1_rauscher_thielemann_partition_function.html#a3baed110ab1b12e22071dc2d92c55db9"> 105</a></span> <a class="code hl_struct" href="structgridfire_1_1partition_1_1_rauscher_thielemann_partition_function_1_1_interpolation_points.html">RauscherThielemannPartitionFunction::InterpolationPoints</a> <a class="code hl_function" href="classgridfire_1_1partition_1_1_rauscher_thielemann_partition_function.html#a3baed110ab1b12e22071dc2d92c55db9">RauscherThielemannPartitionFunction::get_interpolation_points</a>(</div>
<div class="line"><a id="l00106" name="l00106"></a><span class="lineno"> 106</span> <span class="keyword">const</span> <span class="keywordtype">size_t</span> upper_index,</div>
<div class="line"><a id="l00107" name="l00107"></a><span class="lineno"> 107</span> <span class="keyword">const</span> <span class="keywordtype">size_t</span> lower_index,</div>
<div class="line"><a id="l00108" name="l00108"></a><span class="lineno"> 108</span> <span class="keyword">const</span> std::array&lt;double, 24&gt;&amp; normalized_g_values</div>
<div class="line"><a id="l00109" name="l00109"></a><span class="lineno"> 109</span> ) {</div>
<div class="line"><a id="l00110" name="l00110"></a><span class="lineno"> 110</span> <span class="keyword">const</span> <span class="keywordtype">double</span> T_high = <a class="code hl_variable" href="namespacegridfire_1_1partition.html#a1e08a3c20c55bc6fa4a4ecdf7ea57b8f">RT_TEMPERATURE_GRID_T9</a>[upper_index];</div>
<div class="line"><a id="l00111" name="l00111"></a><span class="lineno"> 111</span> <span class="keyword">const</span> <span class="keywordtype">double</span> G_norm_high = normalized_g_values[upper_index];</div>
<div class="line"><a id="l00112" name="l00112"></a><span class="lineno"> 112</span> <span class="keyword">const</span> <span class="keywordtype">double</span> T_low = <a class="code hl_variable" href="namespacegridfire_1_1partition.html#a1e08a3c20c55bc6fa4a4ecdf7ea57b8f">RT_TEMPERATURE_GRID_T9</a>[lower_index];</div>
<div class="line"><a id="l00113" name="l00113"></a><span class="lineno"> 113</span> <span class="keyword">const</span> <span class="keywordtype">double</span> G_norm_low = normalized_g_values[lower_index];</div>
<div class="line"><a id="l00114" name="l00114"></a><span class="lineno"> 114</span> <span class="keywordflow">return</span> {T_high, G_norm_high, T_low, G_norm_low};</div>
<div class="line"><a id="l00115" name="l00115"></a><span class="lineno"> 115</span> }</div>
</div>
<div class="line"><a id="l00116" name="l00116"></a><span class="lineno"> 116</span> </div>
<div class="foldopen" id="foldopen00117" data-start="{" data-end="}">
<div class="line"><a id="l00117" name="l00117"></a><span class="lineno"><a class="line" href="classgridfire_1_1partition_1_1_rauscher_thielemann_partition_function.html#a12058e121981294f447e69a467fd84cd"> 117</a></span> <a class="code hl_struct" href="structgridfire_1_1partition_1_1_rauscher_thielemann_partition_function_1_1_identified_isotope.html">RauscherThielemannPartitionFunction::IdentifiedIsotope</a> <a class="code hl_function" href="classgridfire_1_1partition_1_1_rauscher_thielemann_partition_function.html#a12058e121981294f447e69a467fd84cd">RauscherThielemannPartitionFunction::find</a>(</div>
<div class="line"><a id="l00118" name="l00118"></a><span class="lineno"> 118</span> <span class="keyword">const</span> <span class="keywordtype">int</span> z,</div>
<div class="line"><a id="l00119" name="l00119"></a><span class="lineno"> 119</span> <span class="keyword">const</span> <span class="keywordtype">int</span> a,</div>
<div class="line"><a id="l00120" name="l00120"></a><span class="lineno"> 120</span> <span class="keyword">const</span> <span class="keywordtype">double</span> T9</div>
<div class="line"><a id="l00121" name="l00121"></a><span class="lineno"> 121</span> )<span class="keyword"> const </span>{</div>
<div class="line"><a id="l00122" name="l00122"></a><span class="lineno"> 122</span> <span class="keyword">const</span> <span class="keyword">auto</span> key = <a class="code hl_function" href="classgridfire_1_1partition_1_1_rauscher_thielemann_partition_function.html#ac58b95c8530f69f063c8ed8293487aec">make_key</a>(z, a);</div>
<div class="line"><a id="l00123" name="l00123"></a><span class="lineno"> 123</span> <span class="keyword">const</span> <span class="keyword">auto</span> it = <a class="code hl_variable" href="classgridfire_1_1partition_1_1_rauscher_thielemann_partition_function.html#a50ce19df4c12e22bbcb61422248a4038">m_partitionData</a>.find(key);</div>
<div class="line"><a id="l00124" name="l00124"></a><span class="lineno"> 124</span> </div>
<div class="line"><a id="l00125" name="l00125"></a><span class="lineno"> 125</span> <span class="keywordflow">if</span> (it == <a class="code hl_variable" href="classgridfire_1_1partition_1_1_rauscher_thielemann_partition_function.html#a50ce19df4c12e22bbcb61422248a4038">m_partitionData</a>.end()) {</div>
<div class="line"><a id="l00126" name="l00126"></a><span class="lineno"> 126</span> LOG_ERROR(<a class="code hl_variable" href="classgridfire_1_1partition_1_1_rauscher_thielemann_partition_function.html#a57384ffb1c81cf982614d90e23b173b6">m_logger</a>, <span class="stringliteral">&quot;Rauscher-Thielemann partition function data for Z={} A={} not found.&quot;</span>, z, a);</div>
<div class="line"><a id="l00127" name="l00127"></a><span class="lineno"> 127</span> <span class="keywordflow">throw</span> std::out_of_range(<span class="stringliteral">&quot;Partition function data not found for Z=&quot;</span> + std::to_string(z) + <span class="stringliteral">&quot; A=&quot;</span> + std::to_string(a));</div>
<div class="line"><a id="l00128" name="l00128"></a><span class="lineno"> 128</span> }</div>
<div class="line"><a id="l00129" name="l00129"></a><span class="lineno"> 129</span> </div>
<div class="line"><a id="l00130" name="l00130"></a><span class="lineno"> 130</span> <span class="keyword">const</span> <a class="code hl_struct" href="structgridfire_1_1partition_1_1_rauscher_thielemann_partition_function_1_1_isotope_data.html">IsotopeData</a>&amp; data = it-&gt;second;</div>
<div class="line"><a id="l00131" name="l00131"></a><span class="lineno"> 131</span> <span class="keyword">const</span> <span class="keyword">auto</span> upper_it = std::ranges::lower_bound(<a class="code hl_variable" href="namespacegridfire_1_1partition.html#a1e08a3c20c55bc6fa4a4ecdf7ea57b8f">RT_TEMPERATURE_GRID_T9</a>, T9);</div>
<div class="line"><a id="l00132" name="l00132"></a><span class="lineno"> 132</span> <a class="code hl_enumeration" href="classgridfire_1_1partition_1_1_rauscher_thielemann_partition_function.html#a7002ebbef966f89b2426f5ea0df33329">Bounds</a> bound;</div>
<div class="line"><a id="l00133" name="l00133"></a><span class="lineno"> 133</span> <span class="keywordflow">if</span> (upper_it == <a class="code hl_variable" href="namespacegridfire_1_1partition.html#a1e08a3c20c55bc6fa4a4ecdf7ea57b8f">RT_TEMPERATURE_GRID_T9</a>.begin()) {</div>
<div class="line"><a id="l00134" name="l00134"></a><span class="lineno"> 134</span> bound = <a class="code hl_enumvalue" href="classgridfire_1_1partition_1_1_rauscher_thielemann_partition_function.html#a7002ebbef966f89b2426f5ea0df33329aa692ae3131928d57ddcd2408d6b44d71">FRONT</a>; <span class="comment">// T9 is below the first grid point</span></div>
<div class="line"><a id="l00135" name="l00135"></a><span class="lineno"> 135</span> } <span class="keywordflow">else</span> <span class="keywordflow">if</span> (upper_it == <a class="code hl_variable" href="namespacegridfire_1_1partition.html#a1e08a3c20c55bc6fa4a4ecdf7ea57b8f">RT_TEMPERATURE_GRID_T9</a>.end()) {</div>
<div class="line"><a id="l00136" name="l00136"></a><span class="lineno"> 136</span> bound = <a class="code hl_enumvalue" href="classgridfire_1_1partition_1_1_rauscher_thielemann_partition_function.html#a7002ebbef966f89b2426f5ea0df33329ad8c6323fcc54dfc5319fbd935ae4f75d">BACK</a>; <span class="comment">// T9 is above the last grid point</span></div>
<div class="line"><a id="l00137" name="l00137"></a><span class="lineno"> 137</span> } <span class="keywordflow">else</span> {</div>
<div class="line"><a id="l00138" name="l00138"></a><span class="lineno"> 138</span> bound = <a class="code hl_enumvalue" href="classgridfire_1_1partition_1_1_rauscher_thielemann_partition_function.html#a7002ebbef966f89b2426f5ea0df33329abb276a700ba6a5b912fa0bf0a668d735">MIDDLE</a>; <span class="comment">// T9 is within the grid</span></div>
<div class="line"><a id="l00139" name="l00139"></a><span class="lineno"> 139</span> }</div>
<div class="line"><a id="l00140" name="l00140"></a><span class="lineno"> 140</span> <span class="keyword">const</span> <span class="keywordtype">size_t</span> upper_index = std::distance(<a class="code hl_variable" href="namespacegridfire_1_1partition.html#a1e08a3c20c55bc6fa4a4ecdf7ea57b8f">RT_TEMPERATURE_GRID_T9</a>.begin(), upper_it);</div>
<div class="line"><a id="l00141" name="l00141"></a><span class="lineno"> 141</span> <span class="keyword">const</span> <span class="keywordtype">size_t</span> lower_index = upper_index - 1;</div>
<div class="line"><a id="l00142" name="l00142"></a><span class="lineno"> 142</span> <span class="keywordflow">return</span> {bound, data, upper_index, lower_index};</div>
<div class="line"><a id="l00143" name="l00143"></a><span class="lineno"> 143</span> }</div>
</div>
<div class="line"><a id="l00144" name="l00144"></a><span class="lineno"> 144</span> </div>
<div class="foldopen" id="foldopen00145" data-start="{" data-end="}">
<div class="line"><a id="l00145" name="l00145"></a><span class="lineno"><a class="line" href="classgridfire_1_1partition_1_1_rauscher_thielemann_partition_function.html#ac58b95c8530f69f063c8ed8293487aec"> 145</a></span> <span class="keyword">constexpr</span> <span class="keywordtype">int</span> <a class="code hl_function" href="classgridfire_1_1partition_1_1_rauscher_thielemann_partition_function.html#ac58b95c8530f69f063c8ed8293487aec">RauscherThielemannPartitionFunction::make_key</a>(</div>
<div class="line"><a id="l00146" name="l00146"></a><span class="lineno"> 146</span> <span class="keyword">const</span> <span class="keywordtype">int</span> z,</div>
<div class="line"><a id="l00147" name="l00147"></a><span class="lineno"> 147</span> <span class="keyword">const</span> <span class="keywordtype">int</span> a</div>
<div class="line"><a id="l00148" name="l00148"></a><span class="lineno"> 148</span> ) {</div>
<div class="line"><a id="l00149" name="l00149"></a><span class="lineno"> 149</span> <span class="keywordflow">return</span> z * 1000 + a; <span class="comment">// Simple key generation for Z and A</span></div>
<div class="line"><a id="l00150" name="l00150"></a><span class="lineno"> 150</span> }</div>
</div>
<div class="line"><a id="l00151" name="l00151"></a><span class="lineno"> 151</span>}</div>
<div class="ttc" id="aclassgridfire_1_1partition_1_1_rauscher_thielemann_partition_function_html_a12058e121981294f447e69a467fd84cd"><div class="ttname"><a href="classgridfire_1_1partition_1_1_rauscher_thielemann_partition_function.html#a12058e121981294f447e69a467fd84cd">gridfire::partition::RauscherThielemannPartitionFunction::find</a></div><div class="ttdeci">IdentifiedIsotope find(int z, int a, double T9) const</div><div class="ttdoc">Identify isotope entry and grid indices for given T9.</div><div class="ttdef"><b>Definition</b> <a href="#l00117">partition_rauscher_thielemann.cpp:117</a></div></div>
<div class="ttc" id="aclassgridfire_1_1partition_1_1_rauscher_thielemann_partition_function_html_a3baed110ab1b12e22071dc2d92c55db9"><div class="ttname"><a href="classgridfire_1_1partition_1_1_rauscher_thielemann_partition_function.html#a3baed110ab1b12e22071dc2d92c55db9">gridfire::partition::RauscherThielemannPartitionFunction::get_interpolation_points</a></div><div class="ttdeci">static InterpolationPoints get_interpolation_points(const size_t upper_index, const size_t lower_index, const std::array&lt; double, 24 &gt; &amp;normalized_g_values)</div><div class="ttdoc">Get interpolation points from normalized G array.</div><div class="ttdef"><b>Definition</b> <a href="#l00105">partition_rauscher_thielemann.cpp:105</a></div></div>
<div class="ttc" id="aclassgridfire_1_1partition_1_1_rauscher_thielemann_partition_function_html_a50ce19df4c12e22bbcb61422248a4038"><div class="ttname"><a href="classgridfire_1_1partition_1_1_rauscher_thielemann_partition_function.html#a50ce19df4c12e22bbcb61422248a4038">gridfire::partition::RauscherThielemannPartitionFunction::m_partitionData</a></div><div class="ttdeci">std::unordered_map&lt; int, IsotopeData &gt; m_partitionData</div><div class="ttdoc">Map of isotope key to data.</div><div class="ttdef"><b>Definition</b> <a href="partition__rauscher__thielemann_8h_source.html#l00113">partition_rauscher_thielemann.h:113</a></div></div>
<div class="ttc" id="aclassgridfire_1_1partition_1_1_rauscher_thielemann_partition_function_html_a57384ffb1c81cf982614d90e23b173b6"><div class="ttname"><a href="classgridfire_1_1partition_1_1_rauscher_thielemann_partition_function.html#a57384ffb1c81cf982614d90e23b173b6">gridfire::partition::RauscherThielemannPartitionFunction::m_logger</a></div><div class="ttdeci">quill::Logger * m_logger</div><div class="ttdef"><b>Definition</b> <a href="partition__rauscher__thielemann_8h_source.html#l00112">partition_rauscher_thielemann.h:112</a></div></div>
<div class="ttc" id="aclassgridfire_1_1partition_1_1_rauscher_thielemann_partition_function_html_a588a11c654751765b04d6425c99041f5"><div class="ttname"><a href="classgridfire_1_1partition_1_1_rauscher_thielemann_partition_function.html#a588a11c654751765b04d6425c99041f5">gridfire::partition::RauscherThielemannPartitionFunction::supports</a></div><div class="ttdeci">bool supports(int z, int a) const override</div><div class="ttdoc">Check if partition data exists for given isotope.</div><div class="ttdef"><b>Definition</b> <a href="#l00098">partition_rauscher_thielemann.cpp:98</a></div></div>
<div class="ttc" id="aclassgridfire_1_1partition_1_1_rauscher_thielemann_partition_function_html_a7002ebbef966f89b2426f5ea0df33329"><div class="ttname"><a href="classgridfire_1_1partition_1_1_rauscher_thielemann_partition_function.html#a7002ebbef966f89b2426f5ea0df33329">gridfire::partition::RauscherThielemannPartitionFunction::Bounds</a></div><div class="ttdeci">Bounds</div><div class="ttdoc">Indicator for temperature grid bound position.</div><div class="ttdef"><b>Definition</b> <a href="partition__rauscher__thielemann_8h_source.html#l00089">partition_rauscher_thielemann.h:89</a></div></div>
<div class="ttc" id="aclassgridfire_1_1partition_1_1_rauscher_thielemann_partition_function_html_a7002ebbef966f89b2426f5ea0df33329aa692ae3131928d57ddcd2408d6b44d71"><div class="ttname"><a href="classgridfire_1_1partition_1_1_rauscher_thielemann_partition_function.html#a7002ebbef966f89b2426f5ea0df33329aa692ae3131928d57ddcd2408d6b44d71">gridfire::partition::RauscherThielemannPartitionFunction::FRONT</a></div><div class="ttdeci">@ FRONT</div><div class="ttdoc">Below first grid point.</div><div class="ttdef"><b>Definition</b> <a href="partition__rauscher__thielemann_8h_source.html#l00090">partition_rauscher_thielemann.h:90</a></div></div>
<div class="ttc" id="aclassgridfire_1_1partition_1_1_rauscher_thielemann_partition_function_html_a7002ebbef966f89b2426f5ea0df33329abb276a700ba6a5b912fa0bf0a668d735"><div class="ttname"><a href="classgridfire_1_1partition_1_1_rauscher_thielemann_partition_function.html#a7002ebbef966f89b2426f5ea0df33329abb276a700ba6a5b912fa0bf0a668d735">gridfire::partition::RauscherThielemannPartitionFunction::MIDDLE</a></div><div class="ttdeci">@ MIDDLE</div><div class="ttdoc">Between grid points.</div><div class="ttdef"><b>Definition</b> <a href="partition__rauscher__thielemann_8h_source.html#l00092">partition_rauscher_thielemann.h:92</a></div></div>
<div class="ttc" id="aclassgridfire_1_1partition_1_1_rauscher_thielemann_partition_function_html_a7002ebbef966f89b2426f5ea0df33329ad8c6323fcc54dfc5319fbd935ae4f75d"><div class="ttname"><a href="classgridfire_1_1partition_1_1_rauscher_thielemann_partition_function.html#a7002ebbef966f89b2426f5ea0df33329ad8c6323fcc54dfc5319fbd935ae4f75d">gridfire::partition::RauscherThielemannPartitionFunction::BACK</a></div><div class="ttdeci">@ BACK</div><div class="ttdoc">Above last grid point.</div><div class="ttdef"><b>Definition</b> <a href="partition__rauscher__thielemann_8h_source.html#l00091">partition_rauscher_thielemann.h:91</a></div></div>
<div class="ttc" id="aclassgridfire_1_1partition_1_1_rauscher_thielemann_partition_function_html_aaa1e11579b44a88c5f18943cc303c4b4"><div class="ttname"><a href="classgridfire_1_1partition_1_1_rauscher_thielemann_partition_function.html#aaa1e11579b44a88c5f18943cc303c4b4">gridfire::partition::RauscherThielemannPartitionFunction::evaluateDerivative</a></div><div class="ttdeci">double evaluateDerivative(int z, int a, double T9) const override</div><div class="ttdoc">Evaluate temperature derivative of partition function.</div><div class="ttdef"><b>Definition</b> <a href="#l00078">partition_rauscher_thielemann.cpp:78</a></div></div>
<div class="ttc" id="aclassgridfire_1_1partition_1_1_rauscher_thielemann_partition_function_html_ac58b95c8530f69f063c8ed8293487aec"><div class="ttname"><a href="classgridfire_1_1partition_1_1_rauscher_thielemann_partition_function.html#ac58b95c8530f69f063c8ed8293487aec">gridfire::partition::RauscherThielemannPartitionFunction::make_key</a></div><div class="ttdeci">static constexpr int make_key(int z, int a)</div><div class="ttdoc">Generate integer key for isotope (z,a).</div><div class="ttdef"><b>Definition</b> <a href="#l00145">partition_rauscher_thielemann.cpp:145</a></div></div>
<div class="ttc" id="aclassgridfire_1_1partition_1_1_rauscher_thielemann_partition_function_html_ae67464baee3b12cdc0470be74524866c"><div class="ttname"><a href="classgridfire_1_1partition_1_1_rauscher_thielemann_partition_function.html#ae67464baee3b12cdc0470be74524866c">gridfire::partition::RauscherThielemannPartitionFunction::RauscherThielemannPartitionFunction</a></div><div class="ttdeci">RauscherThielemannPartitionFunction()</div><div class="ttdoc">Construct and populate partition data.</div><div class="ttdef"><b>Definition</b> <a href="#l00020">partition_rauscher_thielemann.cpp:20</a></div></div>
<div class="ttc" id="aclassgridfire_1_1partition_1_1_rauscher_thielemann_partition_function_html_aebe49d06b50a18ea4484ff15cb301681"><div class="ttname"><a href="classgridfire_1_1partition_1_1_rauscher_thielemann_partition_function.html#aebe49d06b50a18ea4484ff15cb301681">gridfire::partition::RauscherThielemannPartitionFunction::evaluate</a></div><div class="ttdeci">double evaluate(int z, int a, double T9) const override</div><div class="ttdoc">Evaluate partition function for isotope at temperature.</div><div class="ttdef"><b>Definition</b> <a href="#l00043">partition_rauscher_thielemann.cpp:43</a></div></div>
<div class="ttc" id="anamespacegridfire_1_1partition_html"><div class="ttname"><a href="namespacegridfire_1_1partition.html">gridfire::partition</a></div><div class="ttdef"><b>Definition</b> <a href="partition__composite_8h_source.html#l00015">partition_composite.h:15</a></div></div>
<div class="ttc" id="anamespacegridfire_1_1partition_html_a1e08a3c20c55bc6fa4a4ecdf7ea57b8f"><div class="ttname"><a href="namespacegridfire_1_1partition.html#a1e08a3c20c55bc6fa4a4ecdf7ea57b8f">gridfire::partition::RT_TEMPERATURE_GRID_T9</a></div><div class="ttdeci">static constexpr std::array&lt; double, 24 &gt; RT_TEMPERATURE_GRID_T9</div><div class="ttdef"><b>Definition</b> <a href="#l00015">partition_rauscher_thielemann.cpp:15</a></div></div>
<div class="ttc" id="apartition__rauscher__thielemann_8h_html"><div class="ttname"><a href="partition__rauscher__thielemann_8h.html">partition_rauscher_thielemann.h</a></div></div>
<div class="ttc" id="arauscher__thielemann__partition__data_8h_html"><div class="ttname"><a href="rauscher__thielemann__partition__data_8h.html">rauscher_thielemann_partition_data.h</a></div></div>
<div class="ttc" id="arauscher__thielemann__partition__data_8h_html_a5240736f3bdb43cf2cd63464c5835df1"><div class="ttname"><a href="rauscher__thielemann__partition__data_8h.html#a5240736f3bdb43cf2cd63464c5835df1">rauscher_thielemann_partition_data_len</a></div><div class="ttdeci">const size_t rauscher_thielemann_partition_data_len</div><div class="ttdef"><b>Definition</b> <a href="rauscher__thielemann__partition__data_8h_source.html#l69897">rauscher_thielemann_partition_data.h:69897</a></div></div>
<div class="ttc" id="arauscher__thielemann__partition__data_8h_html_a7b9a54e9c58848fe3205479acd770ffd"><div class="ttname"><a href="rauscher__thielemann__partition__data_8h.html#a7b9a54e9c58848fe3205479acd770ffd">rauscher_thielemann_partition_data</a></div><div class="ttdeci">const unsigned char rauscher_thielemann_partition_data[]</div><div class="ttdef"><b>Definition</b> <a href="rauscher__thielemann__partition__data_8h_source.html#l00005">rauscher_thielemann_partition_data.h:5</a></div></div>
<div class="ttc" id="arauscher__thielemann__partition__data__record_8h_html"><div class="ttname"><a href="rauscher__thielemann__partition__data__record_8h.html">rauscher_thielemann_partition_data_record.h</a></div></div>
<div class="ttc" id="astructgridfire_1_1partition_1_1_rauscher_thielemann_partition_function_1_1_identified_isotope_html"><div class="ttname"><a href="structgridfire_1_1partition_1_1_rauscher_thielemann_partition_function_1_1_identified_isotope.html">gridfire::partition::RauscherThielemannPartitionFunction::IdentifiedIsotope</a></div><div class="ttdef"><b>Definition</b> <a href="partition__rauscher__thielemann_8h_source.html#l00105">partition_rauscher_thielemann.h:105</a></div></div>
<div class="ttc" id="astructgridfire_1_1partition_1_1_rauscher_thielemann_partition_function_1_1_interpolation_points_html"><div class="ttname"><a href="structgridfire_1_1partition_1_1_rauscher_thielemann_partition_function_1_1_interpolation_points.html">gridfire::partition::RauscherThielemannPartitionFunction::InterpolationPoints</a></div><div class="ttdef"><b>Definition</b> <a href="partition__rauscher__thielemann_8h_source.html#l00099">partition_rauscher_thielemann.h:99</a></div></div>
<div class="ttc" id="astructgridfire_1_1partition_1_1_rauscher_thielemann_partition_function_1_1_isotope_data_html"><div class="ttname"><a href="structgridfire_1_1partition_1_1_rauscher_thielemann_partition_function_1_1_isotope_data.html">gridfire::partition::RauscherThielemannPartitionFunction::IsotopeData</a></div><div class="ttdef"><b>Definition</b> <a href="partition__rauscher__thielemann_8h_source.html#l00095">partition_rauscher_thielemann.h:95</a></div></div>
<div class="ttc" id="astructgridfire_1_1partition_1_1_rauscher_thielemann_partition_function_1_1_isotope_data_html_aea71e9198606e0ba393321178f988fcc"><div class="ttname"><a href="structgridfire_1_1partition_1_1_rauscher_thielemann_partition_function_1_1_isotope_data.html#aea71e9198606e0ba393321178f988fcc">gridfire::partition::RauscherThielemannPartitionFunction::IsotopeData::normalized_g_values</a></div><div class="ttdeci">std::array&lt; double, 24 &gt; normalized_g_values</div><div class="ttdoc">Normalized G values on RT grid.</div><div class="ttdef"><b>Definition</b> <a href="partition__rauscher__thielemann_8h_source.html#l00097">partition_rauscher_thielemann.h:97</a></div></div>
<div class="ttc" id="astructgridfire_1_1partition_1_1_rauscher_thielemann_partition_function_1_1_isotope_data_html_aec714697f3f5102124561252233fc350"><div class="ttname"><a href="structgridfire_1_1partition_1_1_rauscher_thielemann_partition_function_1_1_isotope_data.html#aec714697f3f5102124561252233fc350">gridfire::partition::RauscherThielemannPartitionFunction::IsotopeData::ground_state_spin</a></div><div class="ttdeci">double ground_state_spin</div><div class="ttdoc">Spin of the isotope ground state.</div><div class="ttdef"><b>Definition</b> <a href="partition__rauscher__thielemann_8h_source.html#l00096">partition_rauscher_thielemann.h:96</a></div></div>
<div class="ttc" id="astructgridfire_1_1partition_1_1record_1_1_rauscher_thielemann_partition_data_record_html"><div class="ttname"><a href="structgridfire_1_1partition_1_1record_1_1_rauscher_thielemann_partition_data_record.html">gridfire::partition::record::RauscherThielemannPartitionDataRecord</a></div><div class="ttdoc">Packed binary record of Rauscher-Thielemann partition function data for an isotope.</div><div class="ttdef"><b>Definition</b> <a href="rauscher__thielemann__partition__data__record_8h_source.html#l00017">rauscher_thielemann_partition_data_record.h:17</a></div></div>
</div><!-- fragment --></div><!-- contents -->
</div><!-- doc-content -->
<!-- start footer part -->
<div id="nav-path" class="navpath"><!-- id is needed for treeview function! -->
<ul>
<li class="navelem"><a class="el" href="dir_68267d1309a1af8e8297ef4c3efbcdba.html">src</a></li><li class="navelem"><a class="el" href="dir_c85d3e3c5052e9ad9ce18c6863244a25.html">lib</a></li><li class="navelem"><a class="el" href="dir_fe5109f07276e0a4a472af6b22fd99c7.html">partition</a></li><li class="navelem"><a class="el" href="partition__rauscher__thielemann_8cpp.html">partition_rauscher_thielemann.cpp</a></li>
<li class="footer">Generated by <a href="https://www.doxygen.org/index.html"><img class="footer" src="doxygen.svg" width="104" height="31" alt="doxygen"/></a> 1.13.2 </li>
</ul>
</div>
</body>
</html>
Reference in New Issue Copy Permalink