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Summary

This PR enables Lennard-Jones as a model that can be specified in the parameters.toml file (as it's now publicly exported).
Additionally, shifting the Lennard-Jones potential is now optional.

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@romainljsimon , @leonardogalliano for visibility

@V-Francois V-Francois changed the title feat: Enable Lennard-Jones as a model feat: enable Lennard-Jones as a model Jan 15, 2026
@romainljsimon romainljsimon self-requested a review January 15, 2026 10:26
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codecov bot commented Jan 15, 2026

Codecov Report

❌ Patch coverage is 20.00000% with 4 lines in your changes missing coverage. Please review.

Files with missing lines Patch % Lines
src/models.jl 0.00% 4 Missing ⚠️
Files with missing lines Coverage Δ
src/IO/IO.jl 69.70% <100.00%> (ø)
src/models.jl 62.10% <0.00%> (-1.34%) ⬇️
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@romainljsimon romainljsimon merged commit 34664cf into TheDisorderedOrganization:main Jan 15, 2026
4 checks passed
@V-Francois V-Francois deleted the feat/allow-lennard-jones branch January 15, 2026 10:47
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2 participants