Metadata-Version: 2.1
Name: octadist
Version: 2.5.0
Summary: Octahedral distortion calculator for coordination complexes
Home-page: https://octadist.github.io
Author: Rangsiman Ketkaew
Author-email: rangsiman1993@gmail.com
License: UNKNOWN
Download-URL: https://github.com/OctaDist/OctaDist/releases
Project-URL: Documentation, https://octadist.github.io/manual.html
Project-URL: Source, https://github.com/OctaDist/OctaDist
Project-URL: Tracker, https://github.com/OctaDist/OctaDist/issues
Keywords: octahedral distortion,crystallography,chemistry
Platform: UNKNOWN
Classifier: Programming Language :: Python
Classifier: Programming Language :: Python :: 3
Classifier: Programming Language :: Python :: 3.6
Classifier: Programming Language :: Python :: 3.7
Classifier: Development Status :: 5 - Production/Stable
Classifier: License :: OSI Approved :: GNU General Public License v3 (GPLv3)
Classifier: Operating System :: OS Independent
Classifier: Intended Audience :: Science/Research
Classifier: Intended Audience :: Developers
Classifier: Intended Audience :: End Users/Desktop
Classifier: Intended Audience :: Other Audience
Classifier: Natural Language :: English
Classifier: Topic :: Scientific/Engineering :: Chemistry
Classifier: Topic :: Scientific/Engineering :: Mathematics
Classifier: Topic :: Scientific/Engineering :: Visualization
Classifier: Topic :: Software Development :: Libraries :: Python Modules
Classifier: Topic :: Multimedia :: Graphics :: 3D Modeling
Requires-Python: >=3
Description-Content-Type: text/markdown
Requires-Dist: numpy
Requires-Dist: scipy
Requires-Dist: matplotlib

[![Travis-CI Test](https://img.shields.io/travis/OctaDist/OctaDist/master.svg
)](https://travis-ci.org/OctaDist/OctaDist)
[![Code size](https://img.shields.io/github/languages/code-size/OctaDist/OctaDist.svg)](https://github.com/OctaDist/OctaDist)
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## OctaDist
Octahedral distortion calculator: A program for determining the structural distortion of the octahedral complexes. https://octadist.github.io/

<p align="center">
   <img alt="molecule" src="https://raw.githubusercontent.com/OctaDist/OctaDist/master/images/molecule.png" align=middle width="200pt" />
<p/>

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](https://github.com/OctaDist/OctaDist/releases).
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](https://github.com/OctaDist/OctaDist/issues)

## Project team
- [Rangsiman Ketkaew](https://sites.google.com/site/rangsiman1993) (Thammasat University) <br/>
  - E-mail: rangsiman1993@gmail.com <br/>
- [Yuthana Tantirungrotechai](https://sites.google.com/site/compchem403/people/faculty/yuthana) (Thammasat University)
  - E-mail: yt203y@gmail.com
- [David J. Harding](https://www.funtechwu.com/david-j-harding) (Walailak University)
  - E-mail: hdavid@mail.wu.ac.th
- [Phimphaka Harding](https://www.funtechwu.com/phimphaka-harding) (Walailak University, Thailand)
  - E-mail: kphimpha@mail.wu.ac.th
- [Mathieu Marchivie](http://www.icmcb-bordeaux.cnrs.fr/spip.php?article562&lang=fr) (Université de Bordeaux, France)
  - E-mail: mathieu.marchivie@icmcb.cnrs.fr


