Added

• Implementation of excited state simulation
• Spin-penalty for targeting spin states
• Evaluation of HF-forces, spin and other observables
• Type hints and type checking
• Support of folx forward Laplacian
• Expanded configuration through hydra
• Utilities for parsing result files
• Improved logging

Fixed

• NaN-restart mechanism
• Avoid executing code on import

Renamed

• Rename pp (pseudo potential) to ecp (effective core potential) to be consistent across codebase

Removed

• Support for cuda <= 11
• Support for python 3.9
• Deprecated PauliNet ansatz from 10.1038/s41557-020-0544-y