Skip to content

Chore/compat arianna v0.2#68

Open
romainljsimon wants to merge 5 commits intomainfrom
chore/compat-Arianna-v0.2
Open

Chore/compat arianna v0.2#68
romainljsimon wants to merge 5 commits intomainfrom
chore/compat-Arianna-v0.2

Conversation

@romainljsimon
Copy link
Member

Files are changed to comply with the new Arianna version.
Now, each chain has its own numbered folder, where individual callbacks+ trajectories are stored.
The acceptance is not a callback anymore and the StoreAcceptance algorithm is now used. The StoreAcceptance algorithm is now parsed, when running commands from CLI.
Callbacks have changed names and are not named function callback_*.
Callback functions are not written as:

Arianna.@callback function my_callback()

@romainljsimon romainljsimon requested a review from a team as a code owner February 10, 2026 19:57
@codecov
Copy link

codecov bot commented Feb 10, 2026

Codecov Report

❌ Patch coverage is 12.50000% with 7 lines in your changes missing coverage. Please review.

Files with missing lines Patch % Lines
src/ParticlesMC.jl 0.00% 5 Missing ⚠️
src/molecules.jl 0.00% 2 Missing ⚠️
Files with missing lines Coverage Δ
src/utils.jl 92.59% <100.00%> (+6.38%) ⬆️
src/molecules.jl 69.56% <0.00%> (-1.55%) ⬇️
src/ParticlesMC.jl 8.57% <0.00%> (-0.34%) ⬇️
🚀 New features to boost your workflow:
  • ❄️ Test Analytics: Detect flaky tests, report on failures, and find test suite problems.

@leonardogalliano
Copy link
Member

T'es le meilleur

Copy link
Contributor

@V-Francois V-Francois left a comment

Choose a reason for hiding this comment

The reason will be displayed to describe this comment to others. Learn more.

Sorry I'm late to the party.
Great PR!

I just have a comment on the energy callback.

function callback_chain_correlation(simulation)
return mean(compute_chain_correlation(system) for system in simulation.chains)
Arianna.@callback function energy(system::Particles)
return system.energy[1]
Copy link
Contributor

Choose a reason for hiding this comment

The reason will be displayed to describe this comment to others. Learn more.

Is this the total energy, or the energy per particle? The previous callback was per particle.

Ideally, there should be a comment to say explicitly which one it is.

Copy link
Contributor

Choose a reason for hiding this comment

The reason will be displayed to describe this comment to others. Learn more.

I just ran a test, and it looks like now the energy is the total energy, instead of the energy/particles.
Is this intended?

Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment

Labels

None yet

Projects

None yet

Development

Successfully merging this pull request may close these issues.

3 participants