Machine-learning potential for silver sulfide: From CHGNet pretraining to DFT-refined phase stability

· · 来源:tea资讯

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The very first thing I did was create a AGENTS.md for Rust by telling Opus 4.5 to port over the Python rules to Rust semantic equivalents. This worked well enough and had the standard Rust idioms: no .clone() to handle lifetimes poorly, no unnecessary .unwrap(), no unsafe code, etc. Although I am not a Rust expert and cannot speak that the agent-generated code is idiomatic Rust, none of the Rust code demoed in this blog post has traces of bad Rust code smell. Most importantly, the agent is instructed to call clippy after each major change, which is Rust’s famous linter that helps keep the code clean, and Opus is good about implementing suggestions from its warnings. My up-to-date Rust AGENTS.md is available here.