v0.8.0

[0.8.0]

Added

• Added a context handler, quacc.settings.change_settings, that can be used to modify global settings temporarily
• Added quacc.calculators.vasp.params.MPtoASEConverter to convert between Pymatgen- and Atomate2-style input parameters to ASE-compatabile parameters

Fixed

• Fixed copying of WAVECAR between steps of the QMOF recipes

Changed

• Overhauled the MP recipes to ensure better compatability with atomate2 workflows
• The workflow engine must be directly specified with WORKFLOW_ENGINE, as noted in the docs
• Changed VASP_MAG_CUTOFF from 0.05 to 0.02
• Removed the preset keyword argument from the QMOF recipes

Removed

• Removed the pmg_input_set keyword argument from the Vasp calculator

What's Changed

• Update Covalent by @Andrew-S-Rosen in #2111
• Don't pin python 3.13 by @Andrew-S-Rosen in #2113
• Update pyproject.toml to have a more specific ASE version by @Andrew-S-Rosen in #2112
• Fix copying of WAVECAR in QMOF recipes by @Andrew-S-Rosen in #2118
• Clean up module by @Andrew-S-Rosen in #2121
• Breaking: Don't try to auto-detect the workflow engine by @Andrew-S-Rosen in #2124
• Change VASP_MAG_CUTOFF from 0.05 to 0.02 by @Andrew-S-Rosen in #2125
• Remove warning from QMOF recipe by @Andrew-S-Rosen in #2126
• Add support for setting changes with a context handler by @Andrew-S-Rosen in #2127
• Fix the MLP tests by @Andrew-S-Rosen in #2120
• Remove unused test function by @Andrew-S-Rosen in #2130
• Increase robustness of MP settings by @Andrew-S-Rosen in #2123
• Add a small test by @Andrew-S-Rosen in #2133

Full Changelog: v0.7.8...v0.8.0