cesmix-mit / InteratomicPotentials.jl

Contains methods and types for a variety interatomic potentials.
MIT License
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Implement switching functions #17

Open dallasfoster opened 2 years ago

dallasfoster commented 2 years ago

It is common in MD and LAMMPS to implement a function that smoothing transitions between two interatomic potentials depending on the distance between particles. For example, if two particles are close then you may model the interaction to be strongly Coulombic, but as the particle separation increases then you want the interaction to smoothly transition to a SNAP interaction.