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First refactoring iteration #20

Merged
merged 36 commits into from
Jul 15, 2022
Merged

First refactoring iteration #20

merged 36 commits into from
Jul 15, 2022

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emmanuellujan
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Goal:

  1. Gather all functions related to the learning process in this package.
  2. 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.

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codecov-commenter commented Jul 15, 2022

Codecov Report

Merging #20 (748582b) into main (931305f) will decrease coverage by 70.04%.
The diff coverage is 0.00%.

@@            Coverage Diff             @@
##             main     #20       +/-   ##
==========================================
- Coverage   70.47%   0.43%   -70.05%     
==========================================
  Files          10       8        -2     
  Lines         359     231      -128     
==========================================
- Hits          253       1      -252     
- Misses        106     230      +124     
Impacted Files Coverage Δ
src/IO/Input.jl 0.00% <0.00%> (ø)
src/IO/Load-extxyz.jl 0.00% <0.00%> (ø)
src/Learning/Learning.jl 0.00% <0.00%> (ø)
src/Learning/Losses.jl 0.00% <0.00%> (ø)
src/Learning/NNBasisPotential.jl 0.00% <0.00%> (ø)
src/PostProc/Metrics.jl 0.00% <0.00%> (ø)
src/PostProc/Plots.jl 0.00% <0.00%> (ø)
src/PotentialLearning.jl 100.00% <ø> (+26.31%) ⬆️

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@emmanuellujan emmanuellujan merged commit b0b98ac into main Jul 15, 2022
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2 participants