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bjmorgan / kinisi

A Python package for estimating diffusion properties from molecular dynamics simulations.
https://kinisi.readthedocs.io
MIT License
49 stars 11 forks source link

Use the `uncertainties` package for some data storage #27

Open arm61 opened 1 year ago

arm61 commented 1 year ago

Given that there is a Gaussian assumption throughout, this is possibly a better solution than uravu.