Changes:
- Enable calculation of 57-Fe Mössbauer parameters with Orca.
- Enable DLPNO-CCSD(T)-F12 calculations with Orca.
- Added a MRCC calculator (requires MRCC executables at the
MRCC_BINARY_PATH
path
environment variable).- Supported methods: DFT, HF, MP2 [LNO-MP2], CC [LNO-CCSD, LNO-CCSD(T)]
- Added transition state optimizer for QM/MM
- Molecular trajectories in the PDB file format can now be read.
- Improve support for compilation on Windows (MSVC)
- Update address in license