Merge InteratomicBasisPotentials.jl into InteratomicPotentials.jl + Updates from PotentialLearning.jl #50
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bump version
Replaced ArbitraryPotential -> AbstractPotential, removed parameter info. Need to update how parameters are handled to match IP.jl interface.
update for InteratomicPotentials v0.2 compatibility
Update documentation and api for potentials.
Update to v0.2.0
Update documentation
Add workflows
Add JuliaMolSim to workflow registries.
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…otentials In preparation for some clean up, I have restructured the code base significant. ACE and SNAP now refer to BasisSystems, methods that compute local and force descriptors. The potentials are now classified as methods that take in a configuration and a basis system and return an energy, force, or virial. New examples of BasisPotentials include the LinearBasisPotential (which used to be referred to as ACE and SNAP) as well as the NeuralNetworkBasisPotential, that uses a neural network.
…B in nn potential.
swyant
requested changes
Dec 11, 2023
emmanuellujan
commented
Dec 21, 2023
emmanuellujan
requested review from
swyant
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joannajzou
swyant
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Jan 4, 2024
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