Fix `calculate_rdf` not accounting for periodic boundaries - Githubissues

janosh / pymatviz

A toolkit for visualizations in materials informatics.

https://janosh.github.io/pymatviz

MIT License

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Fix `calculate_rdf` not accounting for periodic boundaries #211

Closed janosh closed 2 months ago

janosh commented 2 months ago

now all observed RDFs converge towards 1 for large distances

rdf_pseudo-bmg-4