GP3-xTB code complexity

[tobigithub]

Will the new GP3-xTB include "just" a new parameter file or will it also require a major overhaul of the XTB code, including new extensions and many novel sub-routines? Thank you.

[marcelmbn]

It will include many new Hamiltonian contributions and a different type of basis set, among many other differences to GFNn-xTB. Thus, it comes with a totally new implementation which will come solely in tblite. For further questions, just reach out to @thfroitzheim and myself.

[tobigithub]

Thank you @marcelmbn !