19 lines
638 B
Python
19 lines
638 B
Python
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print(md.correlation.msd(trajectory[0], trajectory[-1]))
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result_msd = md.correlation.shifted_correlation(
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md.correlation.msd, oxygen_water, segments=10, skip=0.1, average=True
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)
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result_msd_nojump = md.correlation.shifted_correlation(
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md.correlation.msd, oxygen_water.nojump, segments=10, skip=0.1, average=True
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)
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plt.figure()
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plt.plot(result_msd[0], result_msd[1], ".", label="pbc")
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plt.plot(result_msd_nojump[0], result_msd_nojump[1], "-", label="nojump")
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plt.legend()
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plt.xscale("log")
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plt.yscale("log")
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plt.xlabel(r"$t$ in ps", fontsize=16)
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plt.ylabel(r"$\langle r^2\rangle(t)$ in nm$^2$", fontsize=16)
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plt.show()
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plt.close()
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