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Changelog

All notable changes to this project will be documented in this file.

The format is based on Keep a Changelog, and this project adheres to Semantic Versioning.

Unreleased

Authors

  • fiona-naughton
  • IAlibay
  • rodpollet

Added

  • first-order Legendre polynomial for water orientation relaxation analysis

Fixed

Changed

  • update changelog (PR #32)
  • In line with SPEC0, the minimum supported Python version is now 3.10
  • Minimum support MDAnalysis version has been raised to 2.1.0

[1.1.0] - 2024-01-11

Authors

  • ianmkenney
  • IAlibay
  • fiona-naughton

Added

  • Support for Python 3.12 (PR #28)

Fixed

  • Removed import of analysis.hbonds and associated import warning (PR #28)

Changed

  • reorganized Sphinx docs (PR #26)
  • switch from versioneer to versioningit (PR #28)

Removed

1.0.0 - 2023-10-18

Authors

  • ianmkenney
  • orbeckst

Fixed

  • package deployment workflow enforces correct options regarding tests
  • formatting fixes in AUTHORS.md (PR #12)

0.1.0 - 2023-10-13

The original MDAnalysis.analysis.waterdynamics was written by Alejandro Bernardin in 2015 and had been part of MDAnalysis since release 0.11.0, https://docs.mdanalysis.org/2.6.1/documentation_pages/analysis/waterdynamics.html. Ian Kenney created the waterdynamics MDAKit in 2023, based on the original code in MDAnalysis. Additional contributors to the original source code are listed in the AUTHORS.md file.

Authors

  • ianmkenney

Added

  • the core functionality of waterdynamics (and its tests) was implemented using the source code from MDAnalysis.analysis.waterdynamics (#3)
  • documentation deployed to github pages and read the docs (PR #5 #6)