Add custom MD driver and improve pairfinder memory performance

lanl / hippynn

python library for atomistic machine learning

https://lanl.github.io/hippynn/

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Closed shinkle-lanl closed 4 weeks ago

shinkle-lanl commented 1 month ago

Also includes minor changes to examples

lubbersnick commented 4 weeks ago

Looks good to me, any other todo's for now?

shinkle-lanl commented 4 weeks ago

Nope, this was all the changes I had in mind