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DFT libraries

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  1. xcfun xcfun Public

    XCFun: A library of exchange-correlation functionals with arbitrary-order derivatives

    C++ 57 31

  2. numgrid numgrid Public

    Numerical integration grid for molecules.

    Rust 46 14

  3. xcauto xcauto Public

    Arbitrary order exchange-correlation functional derivatives using JAX.

    Python 21 1

  4. xcint xcint Public

    Exchange-correlation integrator.

    C++ 9 2

  5. dftlibs.org dftlibs.org Public

    DFT libraries website.

    HTML 1

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