All Versions
10
Latest Version
Avg Release Cycle
15 days
Latest Release
796 days ago

Changelog History

  • v2.6.1 Changes

    August 24, 2019

    ๐ŸŽ Performance improvements

    • ๐Ÿ›  Fixed bugs that were uncovered in version 2.6.0
    • ๐Ÿ’… Changed code style and make it more pythonic
    • โšก๏ธ Updated docstring and corrected typos
    • โšก๏ธ Updated setup.py
    • ๐Ÿ›  Minor bug fixes
  • v2.6.0 Changes

    June 21, 2019

    ๐Ÿ†• New features

    • ๐Ÿ’ป Command line interface (CLI)
    • Scripting console for interactive code response

    ๐ŸŽ Performance improvements

    • ๐Ÿ›  Fixed MPL error when calling matplotlib function
    • โšก๏ธ Updated docstring
    • โšก๏ธ Updated reference manual
    • โšก๏ธ Updated setup.py
    • ๐Ÿ›  Minor bug fixes.
  • v2.5.4 Changes

    June 10, 2019

    ๐Ÿ†• New features

    • Scripting Run as an interactive console.
    • Edit input file using an external text editor.
    • Other useful tools: Edit, Copy, and Paste.
    • โšก๏ธ Updated docstrings of functions.
    • โšก๏ธ Updated manual and example files.

    ๐ŸŽ Performance improvements

    • Low I/O usage.
    • ๐Ÿ”„ Changed calc, draw, plot, and tools modules as classes.
    • โž• Added (and fixed bug) in iconbitmap with Base64 Icon to show logo for OctaDist on Windows.
    • โž• Added error handling in several functions and methods.
    • ๐Ÿ›  Minor bug fixes.
  • v2.5.3 Changes

    May 20, 2019

    ๐Ÿ†• New features

    • Program settings
      • user-adjusted cutoff for screening atomic bond
      • 3D display configurations
    • Can save coordinates and results as files
    • Can call an external text editor to edit a file

    ๐ŸŽ Performance improvements

    • โœ‚ Removed trivial matters
    • ๐Ÿ›  Fixed RMSD and Jahn-Teller distortion functions
    • ๐Ÿ“š Edited docstrings for documentation
    • ๐Ÿ›  Fixed bugs
  • v2.5.3-beta

    May 21, 2019
  • v2.5.3-alpha

    May 20, 2019
  • v2.5.2 Changes

    May 06, 2019

    ๐Ÿ†• New features

    • Identifying the type of coordination complex
    • Jahn-Teller distortion parameters
    • RMSD parameter
    • โšก๏ธ Can check for a new version updates

    ๐ŸŽ Performance improvements

    • ๐Ÿ‘Œ Improved program GUI
    • โœจ Enhanced the speed of calculation
    • ๐Ÿ’… Changed style of docstrings
    • ๐Ÿ›  Fixed bugs
  • v2.5.1 Changes

    May 01, 2019

    ๐ŸŽ Performance improvements

    • ๐Ÿ›  Fixed program GUI
    • ๐Ÿ‘Œ Improved algorithm for computing Sigma and Theta parameters
    • โž• Added comments in code line
  • v2.5.0 Changes

    April 27, 2019

    ๐Ÿ†• New features

    • Find least-squares planes of a selected set of ligand atoms
    • Tilting distortion parameter
    • Pre-calculation of angular Jahn-Teller distortion parameter
  • v2.4 Changes

    April 21, 2019

    ๐ŸŽ Performance improvements

    • โž• Added <D> and Zeta calculations
    • Can take multiple input files simultaneously
    • Can calculate the distortion parameters for different metal center atoms