19 lines
531 B
Python
19 lines
531 B
Python
bins = np.linspace(0, 1, 101)
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result_rdf = md.distribution.rdf(oxygen_water[-1], bins=bins)
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plt.figure()
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plt.plot(bins[:-1], result_rdf)
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plt.xlabel(r"$r$ in nm", fontsize=16)
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plt.ylabel(r"$g(r)$", fontsize=16)
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plt.show()
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plt.close()
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bins = np.linspace(0, 1, 101)
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result_rdf = md.distribution.time_average(
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partial(md.distribution.rdf, bins=bins), oxygen_water, segments=100, skip=0.1
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)
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plt.figure()
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plt.plot(bins[:-1], result_rdf)
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plt.xlabel(r"$r$ in nm", fontsize=16)
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plt.ylabel(r"$g(r)$", fontsize=16)
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plt.show()
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plt.close() |