Quacc

Added

- Added more type hints for input keyword arguments
- Added the `quacc info` command-line argument for error reporting

Changed

- Consolidated VASP INCAR co-pilot settings
- Internal refactoring of the Q-Chem and VASP calculators

Fixed

- All `Path`-based settings have `.expanduser()` applied

Changed

- Improved error handling

Changed

- DFTB+ `MaxSccIterations` set to 200 by default
- SCC errors in DFTB+ relaxations will be reported with higher priority than a relaxation error

Changed

- Changed prefix of scratch directories to have the datetime in it for easier debugging

Fixed

- DFTB+ recipes now won't crash when `kpts=None` for structures with PBCs

Changed

- Changed minimum version of Parsl

Added

- Added type-hinting for schemas

Changed

- Recipes now take `Atoms` instead of `Atoms | dict` as input
- Recipes no longer require the use of `fetch_atoms`
- Standardized schema fields

Removed

- Removed the `fetch_atoms` function