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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++ 39 25

2. MACIS MACIS Public

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

   C++ 18 6

3. ExchCXX ExchCXX Public

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

   C++ 24 22

4. IntegratorXX IntegratorXX Public

   Reusable DFT Grids for the Masses

   C++ 17 12

5. scalapackpp scalapackpp Public

   C++17 Wrapper for ScaLAPACK

   C++ 11 3

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

   A set of CMake Modules for robust linear algebra discovery

   CMake 3858 2 6