Integrating Skala in Electronic Structure Packages via GauXC#
The GauXC library provides an implementation for evaluating exchange-correlation functionals from an input density matrix. We provide Skala as an extension to the GauXC library, allowing users to easily integrate Skala into electronic structure packages that already interface with GauXC. The following sections provide instructions on how to install GauXC with Skala support and how to use Skala in your own electronic structure package via GauXC.