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AtO

CI

Minimalistic Rust implementation of atomic basis functions.
The data of the basis sets will be automatically downloaded from the Basis Set Exchange API.

Citation:

When publishing results obtained from use of the Basis Set Exchange software, please cite:
A New Basis Set Exchange: An Open, Up-to-date Resource for the Molecular Sciences Community.
Benjamin P. Pritchard, Doaa Altarawy, Brett Didier, Tara D. Gibson, Theresa L. Windus.
J. Chem. Inf. Model. 2019, 59(11), 4814-4820, doi:10.1021/acs.jcim.9b00725.

License

Licensed under either of Apache License, Version 2.0 or MIT license at your option.
Unless you explicitly state otherwise, any contribution intentionally submitted for inclusion in this crate by you, as defined in the Apache-2.0 license, shall be dual licensed as above, without any additional terms or conditions.