Release History¶
2.2.0¶
Raise specific exception when single-reference case is encountered
Update address in license
Fix typo in Serenity interface
2.1.0¶
Added an interface to Serenity that provides a map, mapping orbitals between multiple structures. This map can be used to ensure a consistent CAS along reaction coordinates.
2.0.0¶
- Initial Features of the Python Versions:
The standard AutoCAS algorithm to select active spaces.
Selection of a general active space for excited states.
The large active space protocol for ground and excited states.