g-XTB 2.0 (now with gradients)

General Discussion
1

The latest release of the g-XTB method allows optimization, finally. There are binaries for Linux, Windows, and Apple Silicon (ARM) macOS.

Unfortunately, it’s not fully integrated into xtb or tblite so it may be a bit tricky to integrate into the plugins for a bit.

Anyone try this yet? In my quick test, it seemed good, although vibrations are unusable.

2

Given that it is planned to incorporate it into upstream xtb eventually, I think it’s probably best just to wait for that, no?

3

Maybe? It’s not clear how long that will take. Presumably they’ve already done a bunch of that work. :man_shrugging: