OctaDist: A tool for computing the distortion parameters in coordination complexes.

OctaDist (Octahedral Distortion calculator) is an inorganic chemistry and crystallography program for computing the distortion parameters, such as distance and angle distortions, in coordination complexes. For example, they are used for tracking structural change of the spin-crossover complex when the electronics spin-state changes from low-spin to high-spin, and vice versa. OctaDist can also be used to study other kind of the metal complex such as perovskite and metal-organic framework (MOF).

## Program Status¶

OctaDist is maintained on Github version control system. All versions has been continuously tested using Travis CI. Currently, OctaDist project has two branches: Master (stable) and nightly-build (dev).

Branch Version Status
Master 3.0.0 Active
Nightly-build 3.1.0 Active

Note

Tip

This documentation is generated be both user and reference code manuals. For more details, please go to the development page.

## Citation¶

OctaDist: A tool for calculating distortion parameters in coordination complexes.


BibTeX

@misc{KetkaewOctaDist2019,
author = {Rangsiman Ketkaew and Yuthana Tantirungrotechai and David J. Harding and Phimphaka Harding and and Mathieu Marchivie},
title = {OctaDist: A tool for calculating distortion parameters in coordination complexes},