CCPBioSim / CodeEntropy

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• 399-terminal-residues
• 102-coveralls-dependabot-bug
• 104-integrating-waterentropy
• 105-add-codeentropy-logo-to-readme
• 110-improve-test-coverage-for-main
• 112-update-waterentropy-dependency
• 116-mdanalysis-file-call-bug
• 118-mdanalysis-compatability-bug
• 120-introduce-citationcff-file
• 122-update-citationcff-file
• 124-remove-config-yaml
• 125-add-temperature-and-parallel-arguments-to-we
• 127-add-averaging-over-timesteps
• 131-improve-release-ci
• 132-ci-actions-versions
• 147-update-readmemd-v1
• 158-review-community-docs
• 159-expand-ci-testing
• 161-averaging-multimer
• 161-issues-with-averaging-for-protein-multimer
• 166-light-atoms
• 169-add-python-314
• 172-coordinates-and-forces-in-separate-files
• 179-yaml-error
• 181-use-latest-for-mdanalysis
• 185-add-renovate
• 190-update-dependency-management
• 192-force-partitioning
• 195-renovate-workflow
• 209-migrate-from-self-hosted-renovate
• 211-update-waterEntropy
• 214-action-required-fix-renovate-configuration
• 216-action-required-fix-renovate-configuration
• 225-principal-axes
• 226-update-renovate
• 229-update-dependencies
• 236-remove-lockfile-maintenance
• 240-automatically-update-copyright-year
• 248-add-configyaml
• 250-docs-improve-readme-badge-organisation
• 251-docs-improve-readability-of-github-issues
• 254-bug-add-parallel-build-for-coveralls
• 26-residue-bonded-axes
• 26-residue-bonded-axes-final
• 27-orientational-entropy
• 278-flexible-dihedrals
• 296-bug-waterentropy-workflow
• 298-docs-swich-light-and-dark
• 30-averaging-over-molecules-of-the-same-type
• 304-feature-introduce-scenario-based-regression-testing
• 306-dask-parallel-implementation
• 306-frame-index-refactor
• 307-general-optimizing-rad-neighbor-search-performance
• 309-trajectory-slicing
• 310-bug-mismatch-within-regression-test
• 313-bug-regression-tests-fail
• 313-bug-simple-test-fail
• 313-disable-cache
• 313-numerical-stability
• 313-update-baselines
• 317-bug-invalid-eigenvalues
• 32-implement-dual-input-interface
• 320-feature-automate-regression-baseline
• 324-bug-invalid-numba-version
• 327-ua-transvibrational-entropy
• 338-dihedrals-error-for-more-than-one-molecule
• 34-implement-python-logging
• 341-bug-github-actions-conda-build-fails
• 345-general-limit-updated-regression-baselines-to-grouped-result-data
• 348-docs-fix-incorrect-lysozyme-config-filename-in-user-guide
• 350-general-update-windows-runner-to-use-vs2026-image
• 352-general-update-macos-runner-to-macos-26
• 355-general-reintroduce-coveralls-step
• 357-general-improve-local-version
• 358-feature-restructure-frame-parallel-execution
• 362-introduce-a-dedicated-conformationdag-stage
• 363-split-conformational-analysis
• 364-implement-chunked-serial-conformation-map-reduce
• 365-add-dask-execution-for-conformationdag
• 368-bug-investigate-ambiguous-residue-conformational-state-indexing
• 372-cache-customised-united-atom-axes
• 374-cache-customised-residue-axes-topology
• 376-tidy-level-stage-package-exports
• 38-add-splash-screen-metadata
• 398-bug-regression-tests-intermittently-fail
• 402-bug-flit-publish-fails-with-incompatible-flit
• 405-bug-update-flit-core-dependency-in-metayaml
• 407-bug-align-metayaml-and-pyprojecttoml-dependencies
• 417-docs-update-conda-installation-path-within-docs
• 419-general-improve-renovate-dependency-management
• 43-version-1-documentation
• 436-general-review-numerical-robustness
• 439-general-use-nplinalgeigh
• 441-all-atom-MOI
• 441-all-atom-MOI-refactored
• 446-general-gas-phase-pbc
• 452-bug-renovate-widen-rule-ignored
• 457-feature-monitor-dependency-lower-bounds-in-ci
• 46-remove-endian-sensitive-math
• 462-bug-release-workflow-fails-with-python-315
• 467-docs-correct-author-affiliations-in-citation-metadata
• 47-test-file-removal
• 470-feature-adopt-the-shared-ccpbiosim-configuration
• 49-remove-end-method-comments
• 50-update-dependencies
• 54-update-numpy-and-mdanalysis-versions
• 55-weighted-torque-bug
• 56-update-entrypoint-pyproject-toml
• 58-posiedon-code-removal
• 63-conformational-entropy
• 66-update-readmemd-file
• 68-argument-mismatch
• 7-nan-error-handling
• 74-yaml-input-bug
• 75-default-override-bug
• 78-test-cases-for-input-arguments
• 80-controlling-trajectory-size
• 81-verbose-YAML-bug
• 83-sanity-checks-for-input-parameters
• 85-oop-refactor
• 86-indexing-error-in-creating-dihedral-histograms
• 89-refine-output-log-generation
• 90-ci-test-mdanalysis-version
• 93-improve-test-coverage-for-entropy
• 94-improve-test-coverage-for-levels
• 95-improve-test-coverage-for-run
• 98-introduce-dependabot
• ci-fix
• debug-vibrational-regression
• dependabot/github_actions/actions/checkout-4
• dependabot/github_actions/actions/checkout-5
• dependabot/github_actions/actions/checkout-6
• dependabot/github_actions/actions/checkout-6.0.1
• dependabot/github_actions/actions/setup-python-5
• dependabot/github_actions/actions/setup-python-6.0.0
• dependabot/github_actions/actions/setup-python-6.1.0
• dependabot/github_actions/coverallsapp/github-action-2.3.7
• dependabot/github_actions/peter-evans/create-pull-request-7.0.11
• dependabot/github_actions/peter-evans/create-pull-request-7.0.9
• dependabot/github_actions/peter-evans/create-pull-request-8.0.0
• dependabot/github_actions/renovatebot/github-action-44.0.3
• dependabot/github_actions/renovatebot/github-action-44.0.4
• dependabot/github_actions/softprops/action-gh-release-2.3.3
• dependabot/github_actions/softprops/action-gh-release-2.3.4
• dependabot/github_actions/softprops/action-gh-release-2.4.0
• dependabot/github_actions/softprops/action-gh-release-2.4.1
• dependabot/github_actions/softprops/action-gh-release-2.4.2
• dependabot/github_actions/softprops/action-gh-release-2.5.0
• filestore
• harryswift01-patch-1
• lammps-compatibility
• main
• mda-2.11-check
• meta-data
• renovate/actions-checkout-7.x
• renovate/actions-checkout-digest
• renovate/actions-setup-python-6.x
• renovate/actions-setup-python-7.x
• renovate/conda-incubator-setup-miniconda-4.x
• renovate/github-actions
• renovate/major-github-actions
• renovate/major-github-artifact-actions
• renovate/major-software-production-dependencies
• renovate/markupsafe-2.x
• renovate/markupsafe-3.x
• renovate/matplotlib-3.x
• renovate/networkx-3.x
• renovate/peter-evans-create-pull-request-7.x
• renovate/peter-evans-create-pull-request-8.x
• renovate/pin-dependencies
• renovate/pre-commit-4.x
• renovate/pylint-4.x
• renovate/python-3.x
• renovate/rdkit-2026.x
• renovate/rich-15.x
• renovate/ruff-0.x
• renovate/softprops-action-gh-release-2.x
• renovate/softprops-action-gh-release-3.x
• renovate/software-production-dependencies
• renovate/sphinx-9.x
• renovate/sphinx-rtd-theme-3.x
• renovate/stefanzweifel-git-auto-commit-action-7.x
• renovate/waterentropy-2.x
• update-rtd-yaml
• zulip
• zulip-notify

Build # 34990820730

Build Type

Pull #416

github

Committed by web-flow

Commit Message

Merge 2b617f1fe into e4941562e

Pull Request Pull Request #416: Residue rotation and UA translation axes for terminal residues

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