Quacc

Fixed

- Fixed VASP recipes to always respect `calc_swaps`.
- Fixed setting multiple cores in Custodian for Q-Chem runs.

Added

- Added a new `VibThermoSchema` that merges the `VibSchema` and `ThermoSchema` as a convenience

Changed

- The output of recies no longer automatically removes blank lists/dicts/sets to maintain a consistent schema.
- The tblite `freq_job` and lj `freq_job` now use `VibThermoSchema` as the output
- Changed default `SCRATCH_DIR` from `Path.cwd() / ".scratch"` to `Path("~/.scratch")`

Added

- Added a new documentation section for worked examples on HPC.

Changed

- Updated the minimum required versions for Pymatgen and emmet-core to reflect Pydantic 2 update.
- Added `symprec=1e-8` to the default parameters of VASP relaxation jobs.
- VASP bulk recipes now use "BulkSet" as the default preset instead of `None`.
- VASP slab recipes now use "SlabSet" as the default preset instead of `None`.

Fixed

- Fixed pip version conflict when installing Covalent dependencies.

Changed

- Migration to Pydantic 2 is complete, along with the corresponding dependencies.

Changed

- Pydantic field type validation has been improved.
- Moved `quacc.utils.atoms`/`.slabs`/`.defects` into `quacc.atoms.core`/`.slabs`/`.defects`
- Moved `quacc.custodian` to `quacc.calculators.custodian`
- Moved `quacc.utils.thermo.ideal_gas` to `quacc.builders.thermo.run_ideal_gas`
- Renamed `quacc.schemas.ase.summarize_thermo` to `quacc.schemas.ase.summarize_ideal_gas_thermo`