v0.3.0

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.

VSSR-MC refactored and enhanced

Happy to announce an updated version of VSSR-MC is now available!

• Much more modular code
• New tests, tutorials, and scripts
• Logging
• New README
• pip installable

v0.1.0

First release of VSSR-MC code.