GEMDAT-repos / GEMDAT

Python toolkit for molecular dynamics analysis
https://gemdat.readthedocs.io
Apache License 2.0
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autocorrelation should use unit vectors #290

Closed tfamprikis closed 3 months ago

tfamprikis commented 3 months ago

current implementation depends on how Orientations was created. should instead first always normalize to unit vectors so that the resulting function always starts from 1 (see below)

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