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  1. dForm dForm Public

    Recast GTH/HGH pseudo-potentials into diagonal-projection form

    Rust

  2. libxc-rs libxc-rs Public

    Wraps around bindgen-generated rust bindings for libxc.

    Rust

  3. skfio skfio Public

    Convert Slater-Koster files, DFTB+ <=> analytical representation, for use in parameterization workflows.

    Python 1