v0.9.3

[0.9.3]

Changed

• Update the default shear_strain value in quacc.atoms.defects.make_deformations_from_bulk to match that of Pymatgen
• Internal refactoring of the runners to be class-based

Fixed

• Fixed an issue where the Atoms object in the output schema could get a stray calculator attached to it when passed between @jobs

What's Changed

• Bump shakenbreak from 3.3.4 to 3.3.5 by @dependabot in #2219
• Restrict Prefect version range by @Andrew-S-Rosen in #2222
• Revert PR that slowed down Covalent tests by @Andrew-S-Rosen in #2224
• Bump matgl by @Andrew-S-Rosen in #2225
• Bump phonopy from 2.23.1 to 2.24.2 by @dependabot in #2227
• Bump covalent from 0.235.0rc0 to 0.235.1rc0 by @dependabot in #2228
• Strip calculator off trajectory in output schema by @Andrew-S-Rosen in #2229
• Bump parsl[monitoring] from 2024.6.3 to 2024.6.10 by @dependabot in #2231
• Bump pymatgen from 2024.6.4 to 2024.6.10 by @dependabot in #2232
• Fix a small typo in elastic by @superstar54 in #2233
• Refactor runners into classes by @Andrew-S-Rosen in #2020
• Get rid of .traj_atoms hack by @Andrew-S-Rosen in #2235
• Slight refactor of runners by @Andrew-S-Rosen in #2234
• Update .pre-commit-config.yaml by @Andrew-S-Rosen in #2236
• Update phonons.py by @Andrew-S-Rosen in #2237

New Contributors

• @superstar54 made their first contribution in #2233

Full Changelog: v0.9.2...v0.9.3