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Major package refactor

Open emmanuellujan opened this issue 3 years ago • 1 comments

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

emmanuellujan avatar Jul 08 '22 20:07 emmanuellujan

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.

emmanuellujan avatar Jul 16 '22 05:07 emmanuellujan