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Add initial ASV benchmarks - #200

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ojeda-e wants to merge 5 commits into
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issue84-avs-benchmarks
Open

Add initial ASV benchmarks#200
ojeda-e wants to merge 5 commits into
mainfrom
issue84-avs-benchmarks

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@ojeda-e

@ojeda-e ojeda-e commented Jun 13, 2026

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Fixes #84

Description

Changes made in this Pull Request:

  • Added ASV json config with uv envs.
  • Included outputs of benchmarks in .gitignore.
  • Added basic benchmark.
  • Created README with steps and brief explanations to run ASV.

PR Checklist

  • Issue raised/referenced?
  • [N/A] Tests updated/added?
  • Documentation updated/added?
  • CHANGELOG file updated?

Notes:

  • Right now everything lives in a single file (benchmarks/membranecurvature.py), to cover MembraneCurvature.run() performance across system sizes, surface methods (Fourier and binning), Fourier modes, and multi-frame trajectories.
  • I’m treating this as a first pass rather than the final benchmark layout. Longer term, I’d like to split benchmarks into one file per module under membrane_curvature/ For example base, binning_surface, fourier_surface, etc. Then we could track performance at both the analysis API level and for lower-level building blocks. This is particularly interesting because there is a difference in performance between binning and fourier, but also one when increasing the fourier modes.

@codecov

codecov Bot commented Jun 13, 2026

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Codecov Report

✅ All modified and coverable lines are covered by tests.
✅ Project coverage is 100.00%. Comparing base (f80c72d) to head (f197846).

🚀 New features to boost your workflow:
  • ❄️ Test Analytics: Detect flaky tests, report on failures, and find test suite problems.

@ojeda-e
ojeda-e marked this pull request as ready for review June 13, 2026 05:57
@ojeda-e

ojeda-e commented Jun 13, 2026

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@orbeckst I started with the approach you suggested (minimal/simple becnhmarks) with its config and README. For anytime you are available I'll be happy to receive your feedback. Thanks!

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Benchmark performance

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