4. BackgroundΒΆ

Various developments in density functional theory (DFT) focus on computational speed-ups to the enable the treatment of bigger systems with suitable computational effort. This package goes in a different direction. We focus on an educational perspective, where readability is enforced before any speed-ups. The package has only few dependencies, i.e., NumPy and SciPy, thus you can install it nearly anywhere. The package itself is purely written in Python; as such there are only Python source files.