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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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Orientational sites #307

Open SCiarella opened 2 months ago

SCiarella commented 2 months ago

This PR uses blob_dog to identify the orientations which are explored more often.

Now running plot_rectilinear(add_peaks=True) you can obtain figures like this one: a

The calculation of the peaks has been implemented by introducing an OrientationalVolume class, inherited from Volume.

This PR may be redundant once #306 is implemented

stefsmeets commented 1 month ago

I fixed all the merge conflicts with main in this PR