Releases: qcscine/xtb_wrapper
Releases · qcscine/xtb_wrapper
Release 3.0.1
Release 3.0.0
Changes:
- Enable external point charges for QM/MM
- Update address in license
Release 2.0.0
Changes:
- Change to xtb version 6.5.1
- Support of zero electron systems
- Various bugfixes and improvements
Release 1.0.2
Changes:
- Improve dependency search in installation
Release 1.0.1
Changes:
- Various bugfixes and improvements
Release 1.0.0
Changes:
- 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