Adds centre of geometry and centre of mass functionality

bjmorgan / kinisi

A Python package for estimating diffusion properties from molecular dynamics simulations.

https://kinisi.readthedocs.io

MIT License

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Closed arm61 closed 6 months ago

arm61 commented 6 months ago

I think this is ready to merge. Are you happy for me to go ahead @jd15489?

jd15489 commented 6 months ago

I am happy for it to be merged.