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  1. GauXC GauXC Public

    GauXC is a modern, modular C++ library for the evaluation of quantities related to the exchange-correlation (XC) energy (e.g. potential, etc) in the Gaussian basis set discretization of Kohn-Sham d…

    C++ 26 18

  2. MACIS MACIS Public

    A modern C++ library for high-performance configuration interaction methods

    C++ 15 5

  3. ExchCXX ExchCXX Public

    Exchange correlation (XC) library for density functional theory (DFT) calculations in modern C++

    C++ 17 17

  4. IntegratorXX IntegratorXX Public

    Reusable DFT Grids for the Masses

    C++ 13 9

  5. scalapackpp scalapackpp Public

    C++17 Wrapper for ScaLAPACK

    C++ 9 3

  6. linalg-cmake-modules linalg-cmake-modules Public

    A set of CMake Modules for robust linear algebra discovery

    CMake 2 5