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<div class="title">atmdat_outer_shell.cpp</div> </div>
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<a href="atmdat__outer__shell_8cpp.html">Go to the documentation of this file.</a><div class="fragment"><div class="line"><a name="l00001"></a><span class="lineno"> 1</span> <span class="comment">/* This file is part of Cloudy and is copyright (C)1978-2013 by Gary J. Ferland and</span></div>
<div class="line"><a name="l00002"></a><span class="lineno"> 2</span> <span class="comment"> * others. For conditions of distribution and use see copyright notice in license.txt */</span></div>
<div class="line"><a name="l00003"></a><span class="lineno"> 3</span> <span class="comment">/*atmdat_outer_shell determine outer shell, and statistical weights of that and higher ion, for any ion</span></div>
<div class="line"><a name="l00004"></a><span class="lineno"> 4</span> <span class="comment"> * written by Dima Verner */</span></div>
<div class="line"><a name="l00005"></a><span class="lineno"> 5</span> <span class="preprocessor">#include "<a class="code" href="cddefines_8h.html">cddefines.h</a>"</span></div>
<div class="line"><a name="l00006"></a><span class="lineno"> 6</span> <span class="preprocessor">#include "<a class="code" href="atmdat_8h.html">atmdat.h</a>"</span></div>
<div class="line"><a name="l00007"></a><span class="lineno"> 7</span> </div>
<div class="line"><a name="l00008"></a><span class="lineno"><a class="line" href="atmdat__outer__shell_8cpp.html#a0a2bc5c272911f36ba97381ff818d1fe"> 8</a></span> <span class="keywordtype">void</span> <a class="code" href="atmdat_8h.html#a0a2bc5c272911f36ba97381ff818d1fe">atmdat_outer_shell</a>(<span class="keywordtype">long</span> <span class="keywordtype">int</span> iz, <span class="comment">/* atomic number from 1 to 30 */</span></div>
<div class="line"><a name="l00009"></a><span class="lineno"> 9</span>  <span class="keywordtype">long</span> <span class="keywordtype">int</span> in, <span class="comment">/* number of electrons from 1 to iz */</span></div>
<div class="line"><a name="l00010"></a><span class="lineno"> 10</span>  <span class="keywordtype">long</span> <span class="keywordtype">int</span> *imax, <span class="comment">/* number of the outer shell */</span></div>
<div class="line"><a name="l00011"></a><span class="lineno"> 11</span>  <span class="keywordtype">long</span> <span class="keywordtype">int</span> *ig0, <span class="comment">/* statistical weight of (iz,in) ground state */</span></div>
<div class="line"><a name="l00012"></a><span class="lineno"> 12</span>  <span class="keywordtype">long</span> <span class="keywordtype">int</span> *ig1) <span class="comment">/* statistical weight of (iz,in-1) ground state */</span></div>
<div class="line"><a name="l00013"></a><span class="lineno"> 13</span> {</div>
<div class="line"><a name="l00014"></a><span class="lineno"> 14</span>  <span class="keywordtype">long</span> <span class="keywordtype">int</span> kg;</div>
<div class="line"><a name="l00015"></a><span class="lineno"> 15</span> </div>
<div class="line"><a name="l00016"></a><span class="lineno"> 16</span>  <span class="keyword">static</span> <span class="keywordtype">long</span> iss[30]={1,1,2,2,3,3,3,3,3,3,4,4,5,5,5,5,5,5,6,6,6,</div>
<div class="line"><a name="l00017"></a><span class="lineno"> 17</span>  6,6,6,6,6,6,6,7,7};</div>
<div class="line"><a name="l00018"></a><span class="lineno"> 18</span> </div>
<div class="line"><a name="l00019"></a><span class="lineno"> 19</span>  <span class="keyword">static</span> <span class="keywordtype">long</span> igl[30]={2,1,2,1,2,1,4,5,4,1,2,1,2,1,4,5,4,1,4,5,4,</div>
<div class="line"><a name="l00020"></a><span class="lineno"> 20</span>  1,6,9,10,9,6,1,2,1};</div>
<div class="line"><a name="l00021"></a><span class="lineno"> 21</span> </div>
<div class="line"><a name="l00022"></a><span class="lineno"> 22</span>  <span class="keyword">static</span> <span class="keywordtype">long</span> iga[12]={2,1,4,5,4,7,6,9,10,9,2,1};</div>
<div class="line"><a name="l00023"></a><span class="lineno"> 23</span> </div>
<div class="line"><a name="l00024"></a><span class="lineno"> 24</span>  <a class="code" href="cddefines_8h.html#ada0cfa6927ba3683adc971d17643f2e5">DEBUG_ENTRY</a>( <span class="stringliteral">"atmdat_outer_shell()"</span> );</div>
<div class="line"><a name="l00025"></a><span class="lineno"> 25</span>  <span class="comment">/*determine outer shell for some species */</span></div>
<div class="line"><a name="l00026"></a><span class="lineno"> 26</span>  <span class="comment">/******************************************************************************</span></div>
<div class="line"><a name="l00027"></a><span class="lineno"> 27</span> <span class="comment"> *** Input parameters: iz - atomic number from 1 to 30 (integer) </span></div>
<div class="line"><a name="l00028"></a><span class="lineno"> 28</span> <span class="comment"> *** in - number of electrons from 1 to iz (integer)</span></div>
<div class="line"><a name="l00029"></a><span class="lineno"> 29</span> <span class="comment"> *** Output parameters: imax - number of the outer shell</span></div>
<div class="line"><a name="l00030"></a><span class="lineno"> 30</span> <span class="comment"> *** ig0 - statistical weight of (iz,in) ground state</span></div>
<div class="line"><a name="l00031"></a><span class="lineno"> 31</span> <span class="comment"> *** ig1 - statistical weight of (iz,in-1) ground state</span></div>
<div class="line"><a name="l00032"></a><span class="lineno"> 32</span> <span class="comment"> ****************************************************************************** */</span></div>
<div class="line"><a name="l00033"></a><span class="lineno"> 33</span> </div>
<div class="line"><a name="l00034"></a><span class="lineno"> 34</span>  <span class="keywordflow">if</span>( iz < 1 || iz > 30 )</div>
<div class="line"><a name="l00035"></a><span class="lineno"> 35</span>  {</div>
<div class="line"><a name="l00036"></a><span class="lineno"> 36</span>  fprintf( <a class="code" href="cddefines_8cpp.html#a94bc49f6569c17375ac7fbf6a66f6dd0">ioQQQ</a>, <span class="stringliteral">" ***ERROR: wrong atomic number\n"</span> );</div>
<div class="line"><a name="l00037"></a><span class="lineno"> 37</span>  <span class="keywordflow">return</span>;</div>
<div class="line"><a name="l00038"></a><span class="lineno"> 38</span>  }</div>
<div class="line"><a name="l00039"></a><span class="lineno"> 39</span> </div>
<div class="line"><a name="l00040"></a><span class="lineno"> 40</span>  <span class="keywordflow">if</span>( in < 1 || in > iz )</div>
<div class="line"><a name="l00041"></a><span class="lineno"> 41</span>  {</div>
<div class="line"><a name="l00042"></a><span class="lineno"> 42</span>  fprintf( <a class="code" href="cddefines_8cpp.html#a94bc49f6569c17375ac7fbf6a66f6dd0">ioQQQ</a>, <span class="stringliteral">" ***ERROR: wrong number of electrons\n"</span> );</div>
<div class="line"><a name="l00043"></a><span class="lineno"> 43</span>  <span class="keywordflow">return</span>;</div>
<div class="line"><a name="l00044"></a><span class="lineno"> 44</span>  }</div>
<div class="line"><a name="l00045"></a><span class="lineno"> 45</span> </div>
<div class="line"><a name="l00046"></a><span class="lineno"> 46</span>  <span class="comment">/*** Number of the outer shell and statistical weight */</span></div>
<div class="line"><a name="l00047"></a><span class="lineno"> 47</span>  *imax = iss[in-1];</div>
<div class="line"><a name="l00048"></a><span class="lineno"> 48</span>  *ig0 = igl[in-1];</div>
<div class="line"><a name="l00049"></a><span class="lineno"> 49</span> </div>
<div class="line"><a name="l00050"></a><span class="lineno"> 50</span>  <span class="comment">/* in is 1 or greater - as verified above */</span></div>
<div class="line"><a name="l00051"></a><span class="lineno"> 51</span>  <span class="keywordflow">if</span>( in == 1 )</div>
<div class="line"><a name="l00052"></a><span class="lineno"> 52</span>  {</div>
<div class="line"><a name="l00053"></a><span class="lineno"> 53</span>  *ig1 = 1;</div>
<div class="line"><a name="l00054"></a><span class="lineno"> 54</span>  }</div>
<div class="line"><a name="l00055"></a><span class="lineno"> 55</span> </div>
<div class="line"><a name="l00056"></a><span class="lineno"> 56</span>  <span class="keywordflow">else</span> <span class="keywordflow">if</span>( in > 1 )</div>
<div class="line"><a name="l00057"></a><span class="lineno"> 57</span>  {</div>
<div class="line"><a name="l00058"></a><span class="lineno"> 58</span>  *ig1 = igl[in-2];</div>
<div class="line"><a name="l00059"></a><span class="lineno"> 59</span>  }</div>
<div class="line"><a name="l00060"></a><span class="lineno"> 60</span> </div>
<div class="line"><a name="l00061"></a><span class="lineno"> 61</span>  <span class="keywordflow">else</span></div>
<div class="line"><a name="l00062"></a><span class="lineno"> 62</span>  {</div>
<div class="line"><a name="l00063"></a><span class="lineno"> 63</span>  <span class="comment">/* this is total insanity, cannot happen*/</span></div>
<div class="line"><a name="l00064"></a><span class="lineno"> 64</span>  fprintf( <a class="code" href="cddefines_8cpp.html#a94bc49f6569c17375ac7fbf6a66f6dd0">ioQQQ</a>, <span class="stringliteral">" ***ERROR: in insaniy in atmdat_outer_shell\n"</span> );</div>
<div class="line"><a name="l00065"></a><span class="lineno"> 65</span>  <span class="keywordflow">return</span>;</div>
<div class="line"><a name="l00066"></a><span class="lineno"> 66</span>  }</div>
<div class="line"><a name="l00067"></a><span class="lineno"> 67</span> </div>
<div class="line"><a name="l00068"></a><span class="lineno"> 68</span>  <span class="keywordflow">if</span>( in > 18 && iz == in )</div>
<div class="line"><a name="l00069"></a><span class="lineno"> 69</span>  {</div>
<div class="line"><a name="l00070"></a><span class="lineno"> 70</span>  *imax = 7;</div>
<div class="line"><a name="l00071"></a><span class="lineno"> 71</span>  kg = iz - 18;</div>
<div class="line"><a name="l00072"></a><span class="lineno"> 72</span>  *ig0 = iga[kg-1];</div>
<div class="line"><a name="l00073"></a><span class="lineno"> 73</span>  <span class="keywordflow">if</span>( iz == 20 )</div>
<div class="line"><a name="l00074"></a><span class="lineno"> 74</span>  *ig1 = 2;</div>
<div class="line"><a name="l00075"></a><span class="lineno"> 75</span>  <span class="keywordflow">if</span>( iz == 21 )</div>
<div class="line"><a name="l00076"></a><span class="lineno"> 76</span>  *ig1 = 3;</div>
<div class="line"><a name="l00077"></a><span class="lineno"> 77</span>  <span class="keywordflow">if</span>( iz == 22 )</div>
<div class="line"><a name="l00078"></a><span class="lineno"> 78</span>  *ig1 = 4;</div>
<div class="line"><a name="l00079"></a><span class="lineno"> 79</span>  <span class="keywordflow">if</span>( iz == 25 )</div>
<div class="line"><a name="l00080"></a><span class="lineno"> 80</span>  *ig1 = 7;</div>
<div class="line"><a name="l00081"></a><span class="lineno"> 81</span>  <span class="keywordflow">if</span>( iz == 26 )</div>
<div class="line"><a name="l00082"></a><span class="lineno"> 82</span>  *ig1 = 10;</div>
<div class="line"><a name="l00083"></a><span class="lineno"> 83</span>  <span class="keywordflow">if</span>( iz == 30 )</div>
<div class="line"><a name="l00084"></a><span class="lineno"> 84</span>  *ig1 = 2;</div>
<div class="line"><a name="l00085"></a><span class="lineno"> 85</span>  }</div>
<div class="line"><a name="l00086"></a><span class="lineno"> 86</span> </div>
<div class="line"><a name="l00087"></a><span class="lineno"> 87</span>  <span class="keywordflow">if</span>( in > 18 && (iz - in) == 1 )</div>
<div class="line"><a name="l00088"></a><span class="lineno"> 88</span>  {</div>
<div class="line"><a name="l00089"></a><span class="lineno"> 89</span>  <span class="keywordflow">if</span>( iz == 20 )</div>
<div class="line"><a name="l00090"></a><span class="lineno"> 90</span>  {</div>
<div class="line"><a name="l00091"></a><span class="lineno"> 91</span>  *imax = 7;</div>
<div class="line"><a name="l00092"></a><span class="lineno"> 92</span>  *ig0 = 2;</div>
<div class="line"><a name="l00093"></a><span class="lineno"> 93</span>  }</div>
<div class="line"><a name="l00094"></a><span class="lineno"> 94</span> </div>
<div class="line"><a name="l00095"></a><span class="lineno"> 95</span>  <span class="keywordflow">if</span>( iz == 21 )</div>
<div class="line"><a name="l00096"></a><span class="lineno"> 96</span>  {</div>
<div class="line"><a name="l00097"></a><span class="lineno"> 97</span>  *imax = 7;</div>
<div class="line"><a name="l00098"></a><span class="lineno"> 98</span>  *ig0 = 3;</div>
<div class="line"><a name="l00099"></a><span class="lineno"> 99</span>  }</div>
<div class="line"><a name="l00100"></a><span class="lineno"> 100</span> </div>
<div class="line"><a name="l00101"></a><span class="lineno"> 101</span>  <span class="keywordflow">if</span>( iz == 22 )</div>
<div class="line"><a name="l00102"></a><span class="lineno"> 102</span>  {</div>
<div class="line"><a name="l00103"></a><span class="lineno"> 103</span>  *imax = 7;</div>
<div class="line"><a name="l00104"></a><span class="lineno"> 104</span>  *ig0 = 4;</div>
<div class="line"><a name="l00105"></a><span class="lineno"> 105</span>  }</div>
<div class="line"><a name="l00106"></a><span class="lineno"> 106</span> </div>
<div class="line"><a name="l00107"></a><span class="lineno"> 107</span>  <span class="keywordflow">if</span>( iz == 25 )</div>
<div class="line"><a name="l00108"></a><span class="lineno"> 108</span>  {</div>
<div class="line"><a name="l00109"></a><span class="lineno"> 109</span>  *imax = 7;</div>
<div class="line"><a name="l00110"></a><span class="lineno"> 110</span>  *ig0 = 7;</div>
<div class="line"><a name="l00111"></a><span class="lineno"> 111</span>  }</div>
<div class="line"><a name="l00112"></a><span class="lineno"> 112</span> </div>
<div class="line"><a name="l00113"></a><span class="lineno"> 113</span>  <span class="keywordflow">if</span>( iz == 26 )</div>
<div class="line"><a name="l00114"></a><span class="lineno"> 114</span>  {</div>
<div class="line"><a name="l00115"></a><span class="lineno"> 115</span>  *imax = 7;</div>
<div class="line"><a name="l00116"></a><span class="lineno"> 116</span>  *ig0 = 10;</div>
<div class="line"><a name="l00117"></a><span class="lineno"> 117</span>  }</div>
<div class="line"><a name="l00118"></a><span class="lineno"> 118</span> </div>
<div class="line"><a name="l00119"></a><span class="lineno"> 119</span>  <span class="keywordflow">if</span>( iz == 30 )</div>
<div class="line"><a name="l00120"></a><span class="lineno"> 120</span>  {</div>
<div class="line"><a name="l00121"></a><span class="lineno"> 121</span>  *imax = 7;</div>
<div class="line"><a name="l00122"></a><span class="lineno"> 122</span>  *ig0 = 2;</div>
<div class="line"><a name="l00123"></a><span class="lineno"> 123</span>  }</div>
<div class="line"><a name="l00124"></a><span class="lineno"> 124</span> </div>
<div class="line"><a name="l00125"></a><span class="lineno"> 125</span>  }</div>
<div class="line"><a name="l00126"></a><span class="lineno"> 126</span> </div>
<div class="line"><a name="l00127"></a><span class="lineno"> 127</span>  <span class="keywordflow">return</span>;</div>
<div class="line"><a name="l00128"></a><span class="lineno"> 128</span> }</div>
<div class="ttc" id="cddefines_8cpp_html_a94bc49f6569c17375ac7fbf6a66f6dd0"><div class="ttname"><a href="cddefines_8cpp.html#a94bc49f6569c17375ac7fbf6a66f6dd0">ioQQQ</a></div><div class="ttdeci">FILE * ioQQQ</div><div class="ttdef"><b>Definition:</b> <a href="cddefines_8cpp_source.html#l00007">cddefines.cpp:7</a></div></div>
<div class="ttc" id="atmdat_8h_html"><div class="ttname"><a href="atmdat_8h.html">atmdat.h</a></div></div>
<div class="ttc" id="atmdat_8h_html_a0a2bc5c272911f36ba97381ff818d1fe"><div class="ttname"><a href="atmdat_8h.html#a0a2bc5c272911f36ba97381ff818d1fe">atmdat_outer_shell</a></div><div class="ttdeci">void atmdat_outer_shell(long int iz, long int in, long int *imax, long int *ig0, long int *ig1)</div><div class="ttdef"><b>Definition:</b> <a href="atmdat__outer__shell_8cpp_source.html#l00008">atmdat_outer_shell.cpp:8</a></div></div>
<div class="ttc" id="cddefines_8h_html"><div class="ttname"><a href="cddefines_8h.html">cddefines.h</a></div></div>
<div class="ttc" id="cddefines_8h_html_ada0cfa6927ba3683adc971d17643f2e5"><div class="ttname"><a href="cddefines_8h.html#ada0cfa6927ba3683adc971d17643f2e5">DEBUG_ENTRY</a></div><div class="ttdeci">#define DEBUG_ENTRY(funcname)</div><div class="ttdef"><b>Definition:</b> <a href="cddefines_8h_source.html#l00688">cddefines.h:688</a></div></div>
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