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v0.3.0

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@xiaochendu xiaochendu released this 13 Apr 20:14
· 7 commits to master since this release
625129e

Release Notes

Key Feature: Aqueous Electrochemical Sampling

  • New Feature: Added the ability to sample under aqueous electrochemical conditions, enabling more realistic modeling of electrochemical systems.

Streamlined Pourbaix Sampling

  • Enhanced configuration and file handling for Pourbaix sampling, including updates to test suites and tutorial materials to improve user guidance and workflow efficiency.

Bug Fixes & Refactoring

  • Resolved issues such as misformatted imports.
  • Refactored critical functions for improved code reliability.

Maintenance & Enhancements

  • Prepared for the 0.3.0 milestone with dependency updates and version bumps.
  • Improved utility functions including plotting, clustering, and filtering routines.