octadist 2.5.0

Octahedral distortion calculator for coordination complexes

OctaDist

Octahedral distortion calculator: A program for determining the structural distortion of the octahedral complexes. https://octadist.github.io/

This program is written in Python 3 and tested on PyCharm (Community Edition).

Installation

• Install the latest version: pip install octadist
• Upgrade to the latest version: pip install --upgrade octadist
• Upgrade/downgrade to a specific version: pip install --upgrade octadist==2.5.0

Sample usage

1. Download test_octadist.py python script to your machine
2. Execute this python script and see the result: python test_octadist.py

Compilation

Program executables are compiled on Windows and macOS by PyInstaller and are available here. The end-user of Windows and Mac can download the executable file and run it simply on your system.

Citation

Please cite this project when you have used OctaDist for scientific publication.

Bug report

If you found issues in OctaDist, please report us at here

Project team

• Rangsiman Ketkaew (Thammasat University)
  
  • E-mail: [e-mail]
    
• Yuthana Tantirungrotechai (Thammasat University)
  • E-mail: [e-mail]
• David J. Harding (Walailak University)
  • E-mail: [e-mail]
• Phimphaka Harding (Walailak University, Thailand)
  • E-mail: [e-mail]
• Mathieu Marchivie (Université de Bordeaux, France)
  • E-mail: [e-mail]