Pyscf systems [CI-debugging PR] #2
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Suggest updating pip & also point people to the nightly wheels
Co-authored-by: Guillaume Fraux <guillaume.fraux@epfl.ch>
I used clang-tidy for C++ code, and clippy for Rust code
Co-authored-by: Guillaume Fraux <guillaume.fraux@epfl.ch>
This make the power spectrum produce the same output as doing a full Clebsch-Gordan product and keeping only the lambda=0 term
We need to store the registration name, not the self-reported calculator name
Co-authored-by: Alexander Goscinski <alex.goscinski@posteo.de> Co-authored-by: DivyaSuman14 <divya.suman.1414@gmail.com> Co-authored-by: Guillaume Fraux <guillaume.fraux@epfl.ch> Co-authored-by: Jigyasa Nigam <jigyasa.nigam@epfl.ch> Co-authored-by: Edoardo Cignoni <edoardo.cignoni96@gmail.com> Co-authored-by: frostedoyster <bigi.f@libero.it>q
- Use default tox error for non existing environments - Use `description` for more info on what the env is doing available via `tox list`
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📚 Documentation preview 📚: https://rascaline--2.org.readthedocs.build/en/2/