1 | # ---------------------------------------------------------------------- |
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2 | # EXAMPLE: Fermi-Dirac function in Python. |
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3 | # |
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4 | # This simple example shows how to use Rappture within a simulator |
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5 | # written in Python. |
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6 | # ====================================================================== |
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7 | # AUTHOR: Michael McLennan, Purdue University |
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8 | # Martin Hunt, Purdue University |
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9 | # Copyright (c) 2004-2015 HUBzero Foundation, LLC |
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10 | # |
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11 | # See the file "license.terms" for information on usage and |
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12 | # redistribution of this file, and for a DISCLAIMER OF ALL WARRANTIES. |
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13 | # ====================================================================== |
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14 | import Rappture |
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15 | import sys |
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16 | import numpy as np |
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17 | |
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18 | # Uncomment these lines to redirect |
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19 | # python output and errors to files |
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20 | # for easier debugging. |
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21 | # sys.stderr = open('fermi.err', 'w') |
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22 | # sys.stdout = open('fermi.out', 'w') |
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23 | |
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24 | # open the XML file containing the run parameters |
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25 | rx = Rappture.PyXml(sys.argv[1]) |
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26 | |
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27 | temp_str = rx['input.(temperature).current'].value |
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28 | temp = Rappture.Units.convert(temp_str, to='K', units='off') |
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29 | |
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30 | ef_str = rx['input.(Ef).current'].value |
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31 | ef = Rappture.Units.convert(ef_str, to='eV', units='off') |
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32 | |
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33 | kt = 8.61734e-5 * temp |
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34 | emin = ef - 10*kt |
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35 | emax = ef + 10*kt |
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36 | |
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37 | # Label the output graph with a title, x-axis label, |
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38 | # y-axis label, and y-axis units |
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39 | f12 = rx['output.curve(f12)'] # a shortcut to save typing |
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40 | f12['about.label'] = 'Fermi-Dirac Factor' |
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41 | f12['xaxis.label'] = 'Fermi-Dirac Factor' |
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42 | f12['yaxis.label'] = 'Energy' |
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43 | f12['yaxis.units'] = 'eV' |
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44 | |
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45 | # How many points to use to define our curve |
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46 | numpts = 200 |
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47 | |
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48 | # The normal python approach would be to simply do this: |
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49 | # energy = np.linspace(emin, emax, numpts) |
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50 | # f = 1.0/(1.0 + np.exp((energy - ef)/kt)) |
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51 | # f12['component.xy'] = (f, energy) |
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52 | # rx.close() |
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53 | |
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54 | # But we want to show how to use the progress bar, |
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55 | # so lets do things slowly and iteratively... |
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56 | |
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57 | import time |
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58 | energy = [] |
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59 | fermi = [] |
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60 | for i, e in enumerate(np.linspace(emin, emax, numpts)): |
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61 | f = 1.0/(1.0 + np.exp((e - ef)/kt)) |
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62 | energy.append(e) |
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63 | fermi.append(f) |
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64 | Rappture.Utils.progress(i*100.0/numpts, "Iterating") |
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65 | time.sleep(0.01) |
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66 | f12['component.xy'] = (fermi, energy) |
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67 | rx.close() |
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