Project-4/docs/phase__transition_8py_source.html
2023-11-21 11:27:34 +01:00

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<div id="projectbrief">Simulate the change in energy and magnetization in a ferro magnet</div>
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<div class="fragment"><div class="line"><a id="l00001" name="l00001"></a><span class="lineno"> 1</span><span class="keyword">from</span> pathlib <span class="keyword">import</span> Path</div>
<div class="line"><a id="l00002" name="l00002"></a><span class="lineno"> 2</span> </div>
<div class="line"><a id="l00003" name="l00003"></a><span class="lineno"> 3</span><span class="keyword">import</span> matplotlib.pyplot <span class="keyword">as</span> plt</div>
<div class="line"><a id="l00004" name="l00004"></a><span class="lineno"> 4</span><span class="keyword">import</span> numpy <span class="keyword">as</span> np</div>
<div class="line"><a id="l00005" name="l00005"></a><span class="lineno"> 5</span><span class="keyword">from</span> scipy.stats <span class="keyword">import</span> linregress</div>
<div class="line"><a id="l00006" name="l00006"></a><span class="lineno"> 6</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="keyword">def </span>plot_phase_transition(indir, outdir):</div>
<div class="line"><a id="l00009" name="l00009"></a><span class="lineno"> 9</span> files = [</div>
<div class="line"><a id="l00010" name="l00010"></a><span class="lineno"> 10</span> <span class="stringliteral">&quot;size_20.txt&quot;</span>,</div>
<div class="line"><a id="l00011" name="l00011"></a><span class="lineno"> 11</span> <span class="stringliteral">&quot;size_40.txt&quot;</span>,</div>
<div class="line"><a id="l00012" name="l00012"></a><span class="lineno"> 12</span> <span class="stringliteral">&quot;size_60.txt&quot;</span>,</div>
<div class="line"><a id="l00013" name="l00013"></a><span class="lineno"> 13</span> <span class="stringliteral">&quot;size_80.txt&quot;</span>,</div>
<div class="line"><a id="l00014" name="l00014"></a><span class="lineno"> 14</span> <span class="stringliteral">&quot;size_100.txt&quot;</span>,</div>
<div class="line"><a id="l00015" name="l00015"></a><span class="lineno"> 15</span> ]</div>
<div class="line"><a id="l00016" name="l00016"></a><span class="lineno"> 16</span> labels = [</div>
<div class="line"><a id="l00017" name="l00017"></a><span class="lineno"> 17</span> <span class="stringliteral">&quot;L = 20&quot;</span>,</div>
<div class="line"><a id="l00018" name="l00018"></a><span class="lineno"> 18</span> <span class="stringliteral">&quot;L = 40&quot;</span>,</div>
<div class="line"><a id="l00019" name="l00019"></a><span class="lineno"> 19</span> <span class="stringliteral">&quot;L = 60&quot;</span>,</div>
<div class="line"><a id="l00020" name="l00020"></a><span class="lineno"> 20</span> <span class="stringliteral">&quot;L = 80&quot;</span>,</div>
<div class="line"><a id="l00021" name="l00021"></a><span class="lineno"> 21</span> <span class="stringliteral">&quot;L = 100&quot;</span>,</div>
<div class="line"><a id="l00022" name="l00022"></a><span class="lineno"> 22</span> ]</div>
<div class="line"><a id="l00023" name="l00023"></a><span class="lineno"> 23</span> </div>
<div class="line"><a id="l00024" name="l00024"></a><span class="lineno"> 24</span> figure1, ax1 = plt.subplots()</div>
<div class="line"><a id="l00025" name="l00025"></a><span class="lineno"> 25</span> figure2, ax2 = plt.subplots()</div>
<div class="line"><a id="l00026" name="l00026"></a><span class="lineno"> 26</span> figure3, ax3 = plt.subplots()</div>
<div class="line"><a id="l00027" name="l00027"></a><span class="lineno"> 27</span> figure4, ax4 = plt.subplots()</div>
<div class="line"><a id="l00028" name="l00028"></a><span class="lineno"> 28</span> figure5, ax5 = plt.subplots()</div>
<div class="line"><a id="l00029" name="l00029"></a><span class="lineno"> 29</span> </div>
<div class="line"><a id="l00030" name="l00030"></a><span class="lineno"> 30</span> <span class="comment"># For linear regression</span></div>
<div class="line"><a id="l00031" name="l00031"></a><span class="lineno"> 31</span> L = []</div>
<div class="line"><a id="l00032" name="l00032"></a><span class="lineno"> 32</span> Tc = []</div>
<div class="line"><a id="l00033" name="l00033"></a><span class="lineno"> 33</span> size = 20</div>
<div class="line"><a id="l00034" name="l00034"></a><span class="lineno"> 34</span> </div>
<div class="line"><a id="l00035" name="l00035"></a><span class="lineno"> 35</span> <span class="keywordflow">for</span> file, label <span class="keywordflow">in</span> zip(files, labels):</div>
<div class="line"><a id="l00036" name="l00036"></a><span class="lineno"> 36</span> t = []</div>
<div class="line"><a id="l00037" name="l00037"></a><span class="lineno"> 37</span> e = []</div>
<div class="line"><a id="l00038" name="l00038"></a><span class="lineno"> 38</span> m = []</div>
<div class="line"><a id="l00039" name="l00039"></a><span class="lineno"> 39</span> CV = []</div>
<div class="line"><a id="l00040" name="l00040"></a><span class="lineno"> 40</span> X = []</div>
<div class="line"><a id="l00041" name="l00041"></a><span class="lineno"> 41</span> </div>
<div class="line"><a id="l00042" name="l00042"></a><span class="lineno"> 42</span> <span class="comment"># Append the lattice size</span></div>
<div class="line"><a id="l00043" name="l00043"></a><span class="lineno"> 43</span> L.append(size)</div>
<div class="line"><a id="l00044" name="l00044"></a><span class="lineno"> 44</span> size += 20</div>
<div class="line"><a id="l00045" name="l00045"></a><span class="lineno"> 45</span> </div>
<div class="line"><a id="l00046" name="l00046"></a><span class="lineno"> 46</span> <span class="keyword">with</span> open(Path(indir, file)) <span class="keyword">as</span> f:</div>
<div class="line"><a id="l00047" name="l00047"></a><span class="lineno"> 47</span> lines = f.readlines()</div>
<div class="line"><a id="l00048" name="l00048"></a><span class="lineno"> 48</span> <span class="keywordflow">for</span> line <span class="keywordflow">in</span> lines:</div>
<div class="line"><a id="l00049" name="l00049"></a><span class="lineno"> 49</span> l = line.strip().split(<span class="stringliteral">&quot;,&quot;</span>)</div>
<div class="line"><a id="l00050" name="l00050"></a><span class="lineno"> 50</span> t.append(float(l[0]))</div>
<div class="line"><a id="l00051" name="l00051"></a><span class="lineno"> 51</span> e.append(float(l[1]))</div>
<div class="line"><a id="l00052" name="l00052"></a><span class="lineno"> 52</span> m.append(float(l[2]))</div>
<div class="line"><a id="l00053" name="l00053"></a><span class="lineno"> 53</span> CV.append(float(l[3]))</div>
<div class="line"><a id="l00054" name="l00054"></a><span class="lineno"> 54</span> X.append(float(l[4]))</div>
<div class="line"><a id="l00055" name="l00055"></a><span class="lineno"> 55</span> </div>
<div class="line"><a id="l00056" name="l00056"></a><span class="lineno"> 56</span> <span class="comment"># Append the critical temp for the current lattice size</span></div>
<div class="line"><a id="l00057" name="l00057"></a><span class="lineno"> 57</span> Tc.append(t[X.index(max(X))])</div>
<div class="line"><a id="l00058" name="l00058"></a><span class="lineno"> 58</span> </div>
<div class="line"><a id="l00059" name="l00059"></a><span class="lineno"> 59</span> ax1.plot(t, e, label=label)</div>
<div class="line"><a id="l00060" name="l00060"></a><span class="lineno"> 60</span> ax2.plot(t, m, label=label)</div>
<div class="line"><a id="l00061" name="l00061"></a><span class="lineno"> 61</span> ax3.plot(t, CV, label=label)</div>
<div class="line"><a id="l00062" name="l00062"></a><span class="lineno"> 62</span> ax4.plot(t, X, label=label)</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> <span class="comment"># Attempt linear regression</span></div>
<div class="line"><a id="l00065" name="l00065"></a><span class="lineno"> 65</span> x = np.linspace(0, 100, 1001)</div>
<div class="line"><a id="l00066" name="l00066"></a><span class="lineno"> 66</span> regression = linregress(L, Tc)</div>
<div class="line"><a id="l00067" name="l00067"></a><span class="lineno"> 67</span> f = <span class="keyword">lambda</span> x: regression[0] * x + regression[1]</div>
<div class="line"><a id="l00068" name="l00068"></a><span class="lineno"> 68</span> ax5.scatter(L, Tc)</div>
<div class="line"><a id="l00069" name="l00069"></a><span class="lineno"> 69</span> ax5.plot(x, f(x), label=f<span class="stringliteral">&quot;m = {regression[0]}&quot;</span>)</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> figure1.legend()</div>
<div class="line"><a id="l00072" name="l00072"></a><span class="lineno"> 72</span> figure2.legend()</div>
<div class="line"><a id="l00073" name="l00073"></a><span class="lineno"> 73</span> figure3.legend()</div>
<div class="line"><a id="l00074" name="l00074"></a><span class="lineno"> 74</span> figure4.legend()</div>
<div class="line"><a id="l00075" name="l00075"></a><span class="lineno"> 75</span> figure5.legend()</div>
<div class="line"><a id="l00076" name="l00076"></a><span class="lineno"> 76</span> </div>
<div class="line"><a id="l00077" name="l00077"></a><span class="lineno"> 77</span> figure1.savefig(Path(outdir, <span class="stringliteral">&quot;energy.pdf&quot;</span>))</div>
<div class="line"><a id="l00078" name="l00078"></a><span class="lineno"> 78</span> figure2.savefig(Path(outdir, <span class="stringliteral">&quot;magnetization.pdf&quot;</span>))</div>
<div class="line"><a id="l00079" name="l00079"></a><span class="lineno"> 79</span> figure3.savefig(Path(outdir, <span class="stringliteral">&quot;heat_capacity.pdf&quot;</span>))</div>
<div class="line"><a id="l00080" name="l00080"></a><span class="lineno"> 80</span> figure4.savefig(Path(outdir, <span class="stringliteral">&quot;susceptibility.pdf&quot;</span>))</div>
<div class="line"><a id="l00081" name="l00081"></a><span class="lineno"> 81</span> figure5.savefig(Path(outdir, <span class="stringliteral">&quot;linreg.pdf&quot;</span>))</div>
<div class="line"><a id="l00082" name="l00082"></a><span class="lineno"> 82</span> </div>
<div class="line"><a id="l00083" name="l00083"></a><span class="lineno"> 83</span> plt.close(figure1)</div>
<div class="line"><a id="l00084" name="l00084"></a><span class="lineno"> 84</span> plt.close(figure2)</div>
<div class="line"><a id="l00085" name="l00085"></a><span class="lineno"> 85</span> plt.close(figure3)</div>
<div class="line"><a id="l00086" name="l00086"></a><span class="lineno"> 86</span> plt.close(figure4)</div>
<div class="line"><a id="l00087" name="l00087"></a><span class="lineno"> 87</span> plt.close(figure5)</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> </div>
<div class="line"><a id="l00090" name="l00090"></a><span class="lineno"> 90</span><span class="keywordflow">if</span> __name__ == <span class="stringliteral">&quot;__main__&quot;</span>:</div>
<div class="line"><a id="l00091" name="l00091"></a><span class="lineno"> 91</span> plot_phase_transition(</div>
<div class="line"><a id="l00092" name="l00092"></a><span class="lineno"> 92</span> <span class="stringliteral">&quot;fox_output/phase_transition/wide/10M/&quot;</span>,</div>
<div class="line"><a id="l00093" name="l00093"></a><span class="lineno"> 93</span> <span class="stringliteral">&quot;../latex/images/phase_transition/fox/wide/10M/&quot;</span>,</div>
<div class="line"><a id="l00094" name="l00094"></a><span class="lineno"> 94</span> )</div>
<div class="line"><a id="l00095" name="l00095"></a><span class="lineno"> 95</span> plot_phase_transition(</div>
<div class="line"><a id="l00096" name="l00096"></a><span class="lineno"> 96</span> <span class="stringliteral">&quot;fox_output/phase_transition/wide/1M/&quot;</span>,</div>
<div class="line"><a id="l00097" name="l00097"></a><span class="lineno"> 97</span> <span class="stringliteral">&quot;../latex/images/phase_transition/fox/wide/1M/&quot;</span>,</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> plot_phase_transition(</div>
<div class="line"><a id="l00100" name="l00100"></a><span class="lineno"> 100</span> <span class="stringliteral">&quot;fox_output/phase_transition/narrow/10M/&quot;</span>,</div>
<div class="line"><a id="l00101" name="l00101"></a><span class="lineno"> 101</span> <span class="stringliteral">&quot;../latex/images/phase_transition/fox/narrow/10M/&quot;</span>,</div>
<div class="line"><a id="l00102" name="l00102"></a><span class="lineno"> 102</span> )</div>
<div class="line"><a id="l00103" name="l00103"></a><span class="lineno"> 103</span> plot_phase_transition(</div>
<div class="line"><a id="l00104" name="l00104"></a><span class="lineno"> 104</span> <span class="stringliteral">&quot;output/phase_transition/&quot;</span>, <span class="stringliteral">&quot;../latex/images/phase_transition/hp/&quot;</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> plot_phase_transition(</div>
<div class="line"><a id="l00107" name="l00107"></a><span class="lineno"> 107</span> <span class="stringliteral">&quot;output/phase_transition/&quot;</span>, <span class="stringliteral">&quot;../latex/images/phase_transition/hp/&quot;</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> plot_phase_transition(</div>
<div class="line"><a id="l00110" name="l00110"></a><span class="lineno"> 110</span> <span class="stringliteral">&quot;output/phase_transition/&quot;</span>,</div>
<div class="line"><a id="l00111" name="l00111"></a><span class="lineno"> 111</span> <span class="stringliteral">&quot;../latex/images/phase_transition/hp/&quot;</span>,</div>
<div class="line"><a id="l00112" name="l00112"></a><span class="lineno"> 112</span> )</div>
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