Changelog

Release 3.0.1

Fix segfault if an empty structure was supplied

Release 3.0.0

Enable external point charges for QM/MM
Update address in license

Release 2.0.0

Change to xtb version 6.5.1
Support of zero electron systems
Various bugfixes and improvements

Release 1.0.2

Improve dependency search in installation

Release 1.0.1

Various bugfixes and improvements

Release 1.0.0

Binds xtb including:
- GFN0-xTB
- GFN1-xTB (formerly GFN-xTB)
- GFN2-xTB
- GFN-FF
Allows for implicit solvation unsing the GBSA model, when using GFN1, GFN2 and GFN-FF