* fixed error with density and orbital plots for periodic systems.
2022.9.9
* Added plots for the density, spin density, and orbitals.
2022.8.22 -- More documentation. * Added the DFTB+ recipe 2
2022.8.21 -- Fixed issue using Python 3.10
2022.8.21
* Added initial recipes (tutorials)
2022.8.19
* Corrected total energy to be that of the conventional cell * Added how many primitive cells make up the conventional cell * Added energy per empirical formula unit * Added these energies and counts to the output data, if selected.
2022.8.17
* Now handle magnetic systems * Fixed issues with symmetry changing during optimization cause crashes * Fixed incorrect printing of atom charges and spins * Enhance the ChooseParameters step to support using variables for the parameter dataset and subset
2022.7.24
* Fixed and improved handling of spin in periodic systems * By default now use a previous charge file or charges and spins on atoms, if available, as starting guess. * DOS and bandstructure extended to spin-polarized systems, and a combined graph added for DOS & bandstructure.