TheochemUI/eOn: v2.12.0

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Authors

Rohit Goswami · Cosmos Corporation (United States)

Sam Chill

Rye Terrell

Graeme Henkelman · The University of Texas at Austin

Matthew Welborn

Liang Zhang

Andreas Pedersen · Andersen (United States)

t-brink

Erik Edelmann · CSC - IT Center for Science (Finland)

Abstract

Major internal modernization. See CHANGELOG.md and release notes for full details. Highlights: Replace spdlog/fmt with quill (lock-free async logging) Wrap all client code in namespace eonc Add PotRegistry singleton for structured force call tracking (_potcalls.json) Add SafeMath.h for FPE-safe arithmetic FPE hardening across 12 source files Metatomic ecosystem updates (torch 2.10, metatomic-torch 0.1.9+) Replace cxxopts with argum for CLI parsing

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Published in: Zenodo (CERN European Organization for Nuclear Research)

DOI: 10.5281/zenodo.18529495

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TheochemUI/eOn: v2.12.0

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Abstract

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