* By default DFTB+ can try to use all the cores on a larger machine, which can be inneficient for smaller systems. This changes limits DFTB+ to 1 core per 500 atoms, which seems a reasonable start. This will need more work in the future.
2023.2.15
* Restructured the documentation and applied the new theme. * Fixed crash with the plots for potentials that lack the need info for the plots. Silently ignore the plots. * Added standard properties.
2022.10.20 -- Added handling of properties in the database.
2022.9.18
* Added the spin parameters for the 3ob parameter set from Prof. Elstner. These were provide by Kewei Zhao on the DFTB+ mailing list, 2022-9-8.
2022.9.15
* 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