v2.1.0

• New features
  • Support for spin-polarized calculations!
  • Rewritten GTH parser to use the CP2K file format
  • This adds support for the elements Ac to Lr
  • Built-in Chachiyo correlation functional
  • New pseudo-random starting guess for comparisons with SimpleDFT
• Updated docs
  • Improved displaying of examples in the documentation
  • Convert notebooks to HTML pages
  • New overview image
  • Minify pages
• Miscellaneous
  • Minimal versions for dependencies
  • GUI option for viewer and better examples
  • Rename Ns to Nstate to avoid confusion with Nspin
  • Adapt to newer NumPy RNG generators (use SFC64)
  • Update default numerical parameters
  • Option to set charge directly in atom when calculating single atoms
  • Adapt print precision from convergence tolerance
  • CI tests for the minimal Python version
  • Some code style improvements (e.g. using pathlib over os.path)
  • Misc performance improvements (e.g. in Ylm_real and get_Eewald)
  • Fix some bugs (e.g. the LibXC interface for spin-polarized systems)