v2.3.0

What's Changed

• Store grouped-only regression baselines and run slow cases in update workflow by @harryswift01 in #346
• Refactor trajectory handling to explicit frame-index execution by @harryswift01 in #344
• Run Coveralls coverage on pull requests and main branch updates by @harryswift01 in #356
• Update macOS runner to macos-26 by @harryswift01 in #353
• Correct lysozyme config filename in User Guide to match filestore by @harryswift01 in #349
• Update Windows runner to VS2026 image by @harryswift01 in #351
• Add configurable Dask frame execution with SLURM-backed HPC support by @harryswift01 in #354
• Introduce Deterministic Frame Map-Reduce Execution for Scalable LevelDAG Processing by @harryswift01 in #359
• Introduce Dedicated ConformationDAG Stage for Conformational Analysis by @harryswift01 in #366
• Split Conformational Analysis into Explicit Serial Phases by @harryswift01 in #367
• fix(deps): update dependency matplotlib to >=3.11,<3.12 by @renovate[bot] in #360
• Add serial chunked conformational map-reduce workflow by @harryswift01 in #369
• Cache customised united-atom axes topology for frame covariance by @harryswift01 in #373
• Avoid memory-universe copies during conformational topology discovery by @harryswift01 in #371
• Cache customised residue axes topology for frame covariance by @harryswift01 in #375
• Tidy level package structure by @harryswift01 in #377
• Fix blocked Coveralls upload by splitting main coverage workflow by @harryswift01 in #378
• Update to version 2.3.0 by @github-actions[bot] in #379

Full Changelog: 2.2.4...2.3.0

v2.2.4

What's Changed

• Update dependency rich to v15 by @renovate[bot] in #336
• Fix Conda build failure due to missing conda-build in GitHub Actions environment by @harryswift01 in #342
• Update to version 2.2.4 by @github-actions[bot] in #343

Full Changelog: 2.2.3...2.2.4

v2.2.3

What's Changed

• Disable GitHub Actions Caching Across CI Workflows by @harryswift01 in #337
• Fix indexing issue for multiple dihedrals by @skfegan in #339
• Update to version 2.2.3 by @github-actions[bot] in #340

Full Changelog: 2.2.2...2.2.3

v2.2.2

What's Changed

• Fixing skipped transvibrational entropy. by @skfegan in #328
• Update to version 2.2.2 by @github-actions[bot] in #329

Full Changelog: 2.2.1...2.2.2

v2.2.1

What's Changed

• Fix unsatisfiable numba version constraint and align conda recipe metadata by @harryswift01 in #325
• Update to version 2.2.1 by @github-actions[bot] in #326

Full Changelog: 2.2.0...2.2.1

v2.2.0

What's Changed

• Enforce deterministic group ordering across entropy pipeline and fix ethyl-acetate regression test topology mismatch by @harryswift01 in #311
• Optimize RAD neighbor search and blocking loop in CodeEntropy pipeline by @harryswift01 in #312
• Trajectory Slicing by @skfegan in #316
• Fixing #317 Invalid Eigenvalues by @skfegan in #318
• Add CI workflow for updating regression test baselines by @harryswift01 in #321
• Lammps compatibility by @jkalayan in #322
• Update to version 2.2.0 by @github-actions[bot] in #323

Full Changelog: 2.1.1...2.2.0

v2.1.1

What's Changed

• Introduce scenario-based regression testing framework with expanded configuration coverage by @harryswift01 in #305
• Update to version 2.1.1 by @github-actions[bot] in #308

Full Changelog: 2.1.0...2.1.1

v2.1.0

What's Changed

• Add Conda packaging and automated Anaconda release workflow by @harryswift01 in #293
• Fix logo contrast in light/dark modes by @harryswift01 in #299
• Guard interfacial water entropy for solute-free systems and fix WaterEntropy reporter usage by @harryswift01 in #297
• Introduce Basic Orientational Entropy Calculations by @skfegan in #294
• Force Halving for Flexible Dihedrals by @skfegan in #300
• fix(deps): update dependency waterentropy to >=2,<2.2 by @renovate[bot] in #301
• fix(deps): update dependency waterentropy to >=2,<2.3 by @renovate[bot] in #302
• Update to version 2.1.0 by @github-actions[bot] in #303

Full Changelog: 2.0.0...2.1.0

v2.0.0

What's Changed

• fix(deps): update dependency sphinx-rtd-theme to >=3,<3.2 by @renovate[bot] in #245
• fix(deps): update dependency sphinx to v9 by @renovate[bot] in #232
• Update issue templates by @harryswift01 in #247
• Adopt Principal Axes for Translational and Rotational Coordinates at All Levels by @skfegan in #246
• Enable Issue Template Picker by Adding Templates and Adding Configuration File by @harryswift01 in #249
• Introduce Table for GitHub Badges by @harryswift01 in #252
• Add Parallel Build for Coveralls in CI by @harryswift01 in #255
• Update GitHub Issues to Include HTML Friendly Comments by @harryswift01 in #253
• Isolate CI Testing Strategies for pre-commit, docs and testing by @harryswift01 in #257
• Bump peter-evans/create-pull-request from 8.0.0 to 8.1.0 by @dependabot[bot] in #258
• Update dependency pandas to v3 by @renovate[bot] in #260
• Bump actions/setup-python from 6.1.0 to 6.2.0 by @dependabot[bot] in #259
• Remove dependabot from repository workflow by @harryswift01 in #262
• Include Zenodo DOI within README.md by @harryswift01 in #264
• Update DOI badge link in README.md by @harryswift01 in #266
• Update CI matrix and documentation for supported Python versions by @harryswift01 in #269
• Align CodeEntropy with entropy methods used in 2019 paper by @jkalayan in #267
• Improve Getting Started documentation clarity and workflow by @harryswift01 in #271
• Use MDAnalysis principal_axes() for single-UA molecules to prevent complex axes by @jkalayan in #274
• Refactor workflow to DAG architecture with expanded testing, CI modernisation, and validated numerical equivalence by @harryswift01 in #281
• Regenerate API documentation and standardise Google-style docstrings by @harryswift01 in #283
• Update Logo File Path Location by @harryswift01 in #286
• Add automated Conda publishing to release workflow by @harryswift01 in #287
• Update to version 1.1.0 by @github-actions[bot] in #288
• Fix Conda recipe version update in release workflow by @harryswift01 in #290
• Update to version 2.0.0 by @github-actions[bot] in #291

Full Changelog: 1.0.7...2.0.0

v1.0.7

What's Changed

• chore(deps): update dependency pylint to v4.0.4 by @renovate[bot] in #223
• chore(deps): update softprops/action-gh-release action to v2.5.0 by @renovate[bot] in #224
• Update Renovate to include PEP 621 support and replace-based dependency ranges by @harryswift01 in #227
• Update dependency specification to version ranges for Renovate compatibility by @harryswift01 in #230
• fix(deps): update dependency sphinx-rtd-theme to v3 by @renovate[bot] in #233
• Remove lockFileMaintenance configuration from renovate.json by @harryswift01 in #237
• Bump actions/checkout from 6.0.0 to 6.0.1 by @dependabot[bot] in #234
• Bump peter-evans/create-pull-request from 7.0.9 to 7.0.11 by @dependabot[bot] in #238
• Bump peter-evans/create-pull-request from 7.0.11 to 8.0.0 by @dependabot[bot] in #239
• Automate yearly copyright update in license file by @harryswift01 in #241
• Update license copyright year(s) by @github-actions[bot] in #242
• fix(deps): update dependency waterentropy to v2 by @renovate[bot] in #243
• Update to version 1.0.7 by @github-actions[bot] in #244

Full Changelog: 1.0.6...1.0.7