Release History

Version 3.1.2 (January 27, 2026)

Fixes

  • Added an error check to raise an exception when no hopping events are detected.

Version 3.1.1 (January 2, 2026)

Documentation

  • Updated the citation instructions in the documentation.

Version 3.1.0 (October 29, 2025)

New Features

  • Added an --error_bar option to the plot command to display the standard error of the mean (SEM) on various plots (\(D\), \(D_{rand}\), \(f\), \(\\tau\)).

Fixes

  • Fixed an issue where the CLI was not available when VacHopPy was installed via pip.

  • Fixed a segmentation fault with NumPy (>=2.3) and SciPy (>=1.16).

Changes

  • Updated default values for cos_margin and force_margin.

  • Disabled automatic opening of the HTML output in the trajectory command to avoid errors on some systems.

Version 3.0.0 (October 18, 2025)

Initial public release of VacHopPy.

  • Core analysis engine for vacancy trajectory tracing.

  • Ensemble analysis for multi-temperature simulations.

  • Tools for calculating diffusivity, correlation factors, and attempt frequencies.