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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++ 59 32

  2. numgrid numgrid Public

    Numerical integration grid for molecules.

    Rust 48 14

  3. xcauto xcauto Public

    Arbitrary order exchange-correlation functional derivatives using JAX.

    Python 22 1

  4. xcint xcint Public

    Exchange-correlation integrator.

    C++ 10 2

  5. dftlibs.org dftlibs.org Public

    DFT libraries website.

    HTML 1

Repositories

Showing 5 of 5 repositories
  • numgrid Public

    Numerical integration grid for molecules.

    dftlibs/numgrid’s past year of commit activity
    Rust 48 MPL-2.0 14 6 1 Updated Oct 15, 2024
  • xcfun Public

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

    dftlibs/xcfun’s past year of commit activity
    C++ 59 MPL-2.0 32 9 (1 issue needs help) 2 Updated Nov 30, 2022
  • xcint Public

    Exchange-correlation integrator.

    dftlibs/xcint’s past year of commit activity
    C++ 10 MPL-2.0 2 3 0 Updated Jan 25, 2021
  • xcauto Public

    Arbitrary order exchange-correlation functional derivatives using JAX.

    dftlibs/xcauto’s past year of commit activity
    Python 22 MPL-2.0 1 3 0 Updated Jul 12, 2020
  • dftlibs.org Public

    DFT libraries website.

    dftlibs/dftlibs.org’s past year of commit activity
    HTML 1 0 0 0 Updated Feb 2, 2020

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