CorrelationAnalyzer implements a quaternion-based algorithm to represent the orientations of any polyhedral anion groups, and uses them to detect rotational events.
Stay tuned for the update release with documentations!
The functionalities of CorrelationAnalyzer includes:
- Extract rotational events using quaternion representation
- Discrete event identification (rotation or hop)
- Analyze correlations between various types of events
Please cite the following article when using this code: KyuJung Jun, Byungju Lee, Ronald L. Kam, Gerbrand Ceder, The nonexistence of a paddlewheel effect in superionic conductors, PNAS, 2024. https://doi.org/10.1073/pnas.2316493121
Feel free to reach out to me regarding the code : kjun@berkeley.edu