Unified Pseudopotential Format

The Unified Pseudopotential Format (UPF) specification is here: https://pseudopotentials.quantum-espresso.org/home/unified-pseudopotential-format.

This repository provides a Rust library that reads Unified Pseudopotential Format (UPF) text files and deserializes them into typed Rust structs for further computation.

Project documentation:

• Project guide

Local verification:

• cargo fmt --check
• cargo clippy --all-targets -- -D warnings
• cargo test
• cargo doc --no-deps

Core API:

• upf::from_str
• upf::from_reader
• upf::from_file