Usage in xtb

The tblite project originated from the xtb program package.[1]

Note

Support in xtb is planned for the version 6.5.0 release.

Literature

[1]

Christoph Bannwarth, Eike Caldeweyher, Sebastian Ehlert, Andreas Hansen, Philipp Pracht, Jakob Seibert, Spicher Spicher, and Stefan Grimme. Extended tight‐binding quantum chemistry methods. WIREs Comput. Mol. Sci., 11:e01493, 2020. doi:10.1002/wcms.1493.