Emmanuel Lujan

Links that can be helpful when documenting installation: https://github.com/cesmix-mit/AtomisticComposableWorkflows

Fixed in version 0.2.3

Hi!, thank you for your comment. The readme only has a very short description of the package, but the documentation has a section about [how to run the examples](https://cesmix-mit.github.io/PotentialLearning.jl/dev/how-to-run-the-examples/). Currently,...

Exactly, you need the following registries: ``` pkg> registry add https://github.com/JuliaRegistries/General pkg> registry add https://github.com/cesmix-mit/CESMIX.git pkg> registry add https://github.com/JuliaMolSim/MolSim.git pkg> registry add https://github.com/ACEsuit/ACEregistry ```

https://github.com/JuliaLang/Pkg.jl/issues/3845

Progress on https://github.com/cesmix-mit/PotentialLearning.jl/pull/25 by @dallasfoster From PR discussion: - DPP subset selector (as well as random subset selector) was added. Unit testing is sufficient. - An implementation of HDBSCAN is...

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...

See https://cesmix-mit.github.io/PotentialLearning.jl/dev/

Improvements in LAMMPS.jl documentation: https://github.com/cesmix-mit/LAMMPS.jl/commit/9e1811a2e66f87794fccac0ad158a6744a38f6ff These improvements will be used in this repo.

Hi!, I updated this branch with last changes from main. I added the PCA-ACE example which uses the PCAState datatype. The current CUR codes need to be adapted to the...