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chore(release): v0.1.1 CI #19: Commit 1c5db36 pushed by FridrichMethod
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refactor(energy): thread eps uniformly, name the LJ floor, default k_e CI #18: Commit f16fefb pushed by FridrichMethod
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docs: document the NamedTuple vs dataclass convention and EPS rule CI #17: Commit 676612a pushed by FridrichMethod
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chore(release): finalize CHANGELOG for v0.1.0 CI #16: Commit 1a90b7c pushed by FridrichMethod
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docs: correct constrained+HMR benchmark (3,269 -> 2,220 ns/day) and d… CI #15: Commit e9e4e0c pushed by FridrichMethod
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fix: minimize with full bonded before constraining (CI stability) CI #14: Commit 948c897 pushed by FridrichMethod
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docs: document LINCS constraints (2 fs; 4 fs+HMR ~3,300 ns/day) CI #13: Commit b00bd18 pushed by FridrichMethod
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docs: document HMR (~4x at 2fs); record scan as not-adopted, cell-lis… CI #12: Commit 70bd729 pushed by FridrichMethod
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docs: document the dense default and refresh benchmark results CI #11: Commit 94b307b pushed by FridrichMethod
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Graph Update: pip in /. #1425690570 Dependency Graph #2: by dependabot Bot
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docs: link examples/benchmarks and document small-system scope CI #10: Commit 3e48e20 pushed by FridrichMethod
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Graph Update: pip in /. #1425664845 Dependency Graph #1: by dependabot Bot
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docs: add README/CLAUDE/CHANGELOG/CONTRIBUTING and clean demo notebook CI #9: Commit 6f273fc pushed by FridrichMethod
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feat: add molecular dynamics simulation notebook and associated PDB f… CI #8: Commit 1d1e6a8 pushed by FridrichMethod
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chore: update ruff pre-commit hook to version 0.14.5 CI #7: Commit dcbddc7 pushed by FridrichMethod
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chore: update CI workflow to install only development dependencies CI #6: Commit 3039731 pushed by FridrichMethod
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feat: implement energy calculations, integrators, and simulation fram… CI #5: Commit d71b74d pushed by FridrichMethod
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fix: correct capitalization in project description and module docstring CI #4: Commit 509faa5 pushed by FridrichMethod
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docs: update README to include link to JAX installation details CI #3: Commit 9c6c67e pushed by FridrichMethod
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feat: add backend and common subpackages CI #2: Commit 0824052 pushed by FridrichMethod
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docs: refine README with additional examples and clarify troubleshoot… CI #1: Commit 111cd4e pushed by FridrichMethod
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