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JuliaMolSim / EmpiricalPotentials.jl

Empirical interatomic potentials with Julia, AtomsBase and AtomsCalculators
MIT License
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WIP: EAM Potential #7

Closed cortner closed 1 month ago

cortner commented 5 months ago

This PR will implement an EAM potential compatible with the AtomsBase and AtomsCalculators structures.

Right now I've simply moved over the code from JuLIP and will now try to clean it up a bit before asking @tjjarvinen to bring it in line with the rest of the package and then test it.

CC : @jamesgardner1421 -- I'm ccing you so you are aware. You are very welcome to contribute or ignore us.

cortner commented 1 month ago

I think too much has changed since we started this, we will start again from scratch