Authors: Geoffrey R. Weal and Dr. Anna L. Garden (University of Otago, Dunedin, New Zealand)
Group page: https://blogs.otago.ac.nz/annagarden/
Page to cite with work from: Development of a Structural Comparison Method to Promote Exploration of the Potential Energy Surface in the Global Optimisation of Nanoclusters; Geoffrey R. Weal, Samantha M. McIntyre, and Anna L. Garden; JCIM; in submission stage.
This repository is designed to provide examples of how to use the Organisms program. The Organisms program is designed to perform a genetic algorithm global optimisation for nanoclusters. It has been designed with inspiration from the Birmingham Cluster Genetic Algorithm and the Birmingham Parallel Genetic Algorithm from the Roy Johnston Group.
See the documentation for the Organisms program online at organisms.readthedocs.io/en/latest/. See the documentation about how to install Organisms, including how to install it through PIP.
The github page for the Organisms program is found at github.com/GardenGroupUO/Organisms
To Run this repository through Binder, click the Binder button below.
This will load a Binder page that will allow you to play about with the Organisms program interactively in Binder. This Binder page may load quickly, or it may take 1 to 2 minutes to load. Don't refresh the page as Binder takes a good amount of time to load. Get a coffee or a cup of tea while you wait.
Once this is done you will see a Jupyter notebook that you can interact with. Mess around with it as much as you want!
Have fun!
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| Authors | Geoffrey R. Weal, Dr. Anna L. Garden |
| Group Website | https://blogs.otago.ac.nz/annagarden/ |