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GEMDAT-repos / GEMDAT

Python toolkit for molecular dynamics analysis
https://gemdat.readthedocs.io
Apache License 2.0
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Rename 'mean squared angular displacement' to 'autocorrelation' everywhere #297

Closed SCiarella closed 2 months ago

SCiarella commented 2 months ago

In the notebooks and in the Orientation class we refer to mean squared angular displacement, but in reality what we measure is always the autocorrelation (in fact it goes from 1 to 0). Correct the name for consistency.

stefsmeets commented 2 months ago

Will we have MSAD and autocorrelation or just one of them?

SCiarella commented 2 months ago

Let's use only autocorrelation for now