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SCIGRESS - Computational Tools - Molecular Dynamics (MD-ME) - Analysis Modules - Velocity Auto-Correlation Function & Spectrum Module


When particle velocity v(t0) at time t0 becomes velocity v(t0+t) at time t0+t, velocity auto-correlation function is defined by arithmetic average of these velocity vectors. The spectrum is calculated based on Wiener-Khintchin's theorem.


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