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Started example for static properties

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Sebastian Kloth 2024-01-27 14:54:04 +01:00
parent 41ffe0c829
commit 9bf00254af
1 changed files with 19 additions and 0 deletions
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examples/static_properties.py Normal file
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bins = np.linspace(0, 1, 101)
result_rdf = md.distribution.rdf(oxygen_water[-1], bins=bins)
plt.figure()
plt.plot(bins[:-1], result_rdf)
plt.xlabel(r"$r$ in nm", fontsize=16)
plt.ylabel(r"$g(r)$", fontsize=16)
plt.show()
plt.close()
bins = np.linspace(0, 1, 101)
result_rdf = md.distribution.time_average(
partial(md.distribution.rdf, bins=bins), oxygen_water, segments=100, skip=0.1
)
plt.figure()
plt.plot(bins[:-1], result_rdf)
plt.xlabel(r"$r$ in nm", fontsize=16)
plt.ylabel(r"$g(r)$", fontsize=16)
plt.show()
plt.close()