PotentialLearning.jl
PotentialLearning.jl copied to clipboard
Major package refactor
Package refactor integrating the code of the following sources:
- Latest developments in atomistic composable worflows: https://github.com/cesmix-mit/AtomisticComposableWorkflows/tree/master/ACE
- Active learning branch: https://github.com/cesmix-mit/PotentialLearning.jl/tree/active_learning_refactor
- Old refactor branch: https://github.com/cesmix-mit/PotentialLearning.jl/tree/refactor
First refactoring iteration done. See https://github.com/cesmix-mit/PotentialLearning.jl/pull/20
Goal:
- Gather all functions related to the learning process in this package.
- Based on these functions, and the old interfaces, generate the abstractions that we really need.
Currently I am gathering the functions associated with the branch refactor. This branch facilitates the development of the case studies in https://github.com/cesmix-mit/AtomisticComposableWorkflows.
Next, the functions associated with the branch active_learning_refactor will be integrated.