Skip to content

Version 1.01

Compare
Choose a tag to compare
@hprats hprats released this 13 Oct 22:34
· 145 commits to main since this release

Added

  • Added data validation and error handling in plot_result.py.
  • ZacrosTools is now compatible with multidentate species.
  • ZacrosTools is now compatible with default lattices.

Changed

  • The detect_issues function now only considers the specified window percent.
  • Default window_percent for detect_issues changed from [50, 100] to [30, 100].

Fixed

  • Bug fix for cases where vibrational energies of 0.0 are specified in the reaction model.

Improved