xtb version 6.5.1
Many thanks to Ty Balduf (@TyBalduf), Albert Katbashev (@Albkat), Philipp Pracht (@pprcht), and Marcel Stahn (@MtoLStoN) for contributing to this release.
Bug fixes
- Fixes for Windows build (#629)
- Allow finding of installed test-drive dependencies (#633)
- Calculate number of electrons before restart (#638)
- Copy number of bonds for writing (#637)
- Declare optional arguments in C-API (#636)
- Fix MKL finding with Intel 2021 and newer (#640)
- Added rr-ho interpolation for heat capacity in thermo module (#644)
- Turn off GFN-FF fragmentation if it is not needed (#654)
- Make c-api example MSVC compatible (#648)
- Fixes Orca sanity check (#658)
- Resolve out-of-bounds access in ONIOM (#661)
New Contributors
Full Changelog: v6.5.0...v6.5.1