Changelog

Author:

Rohit Goswami

v0.0.5 - 2025-12-06

Added

  • feat(pltneb): Add 'index' rc-mode to plot against image number

Changed

  • Use white as a default background for plots
  • feat(cache1D): Add disk caching for 1D profiles with rmsd using Parquet
  • feat(cache2D): Add disk caching for 2D landscape plots using Parquet

Fixed

  • fix(plt_neb): Use standard spline for RMSD profiles to fix artifacts

v0.0.4 - 2025-12-01

Added

  • Added _import_from_parent_env helper to enable fallback imports from the parent python environment.
  • Updated con_splitter to handle multi-path trajectories via --images-per-path and --path-index arguments.

Changed

  • Migrated linting configuration to tool.ruff.lint and applied global formatting fixes.
  • Refactored CLI architecture to support dynamic command dispatch and environment propagation for isolated scripts.
  • Updated plt_neb to use the new import helper for optional ira_mod loading.

Fixed

  • Added conditional skipping for ptmdisp tests when ase is not present in the environment.
  • Fixed variable name typo in plt_neb when falling back to globbed overlay data.

v0.0.3 - 2025-10-27

Added

  • Add a FES direct reconstruction helper
  • Add a version picker for the prefix package deleter
  • Add an eigenvalue plotter
  • Add more options for NEB visualization
  • Add the PES estimated NEB plot
  • Add the ruhi colorscheme

Changed

  • Use hermite interpolation for NEB plots

v0.0.2 - 2025-09-06

Added

  • Helper to delete prefix packages
  • Helper to generate initial paths for EON's NEB
  • EON helpers using OVITO
  • Enable image insets for the NEB