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The Otago Research Genetic Algorithm for Nanoclusters, Including Structural Methods and Similarity (Organisms) program is a genetic algorithm designed to globally optimise nanoclusters (also known as clusters or nanoparticles)
Pattern-based structural identification plugin that matches local atomic environments against YAML-defined crystal lattices that exports OpenDXA-compatible reconstructed states
This repository contains examples of genetic algorithm optimisations using the Organisms program that can be run on Jupyter. This can be run either on your computer or live on the web through Binder
Algorithms for crystal structure identification in atomistic simulations. Classifies atoms by local structural environment to detect BCC, FCC, HCP, diamond cubic, and other crystal structures. Distinguishes crystalline atoms from defects, surfaces, and disordered regions