Atomistic.jl

Package that provides an integrated workflow for molecular dynamics (MD) simulations. Defines an API for MD simulations that is compatible with the interatomic potential interface defined by InteratomicPotentials.jl and the atomic configuration interface defined by AtomsBase.jl.

Developed as part of the CESMIX Julia package suite. See also ComposableWorkflows, InteratomicPotentials.jl, and PotentialLearning.jl.