JBWeiss-chem/xPDFsim: 0.0.3

Zenodo (CERN European Organization for Nuclear Research) 2026 Open access

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Authors: Jan-Benedikt Weiß
DOI: 10.5281/zenodo.18157087
Cited by: 0

Abstract

Rewrote the code foundation to be simpler, lighter, and faster. PDFs are now calculated based on pymatgens get_all_neighbors() function.

Publication details

Journal / source
Zenodo (CERN European Organization for Nuclear Research)
Publication date
5 January 2026