v0.3.12

[0.3.12]

Added

• Added a basic phonon runner in quacc.runners.calc.phonons
• Added a TBLite phonon recipe phonon_job
• 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

What's Changed

• Use .expanduser() on Path settings by @Andrew-S-Rosen in #1105
• Add Python 3.12 to test suite by @Andrew-S-Rosen in #1106
• Change ValueError to RuntimeError when cclib fails by @Andrew-S-Rosen in #1107
• Add ASE lower bound by @Andrew-S-Rosen in #1109
• Switch away from deprecated datetime utility by @Andrew-S-Rosen in #1110
• Better path handling for docs by @Andrew-S-Rosen in #1115
• Refactor custom calculators by @Andrew-S-Rosen in #1117
• Add a skipcq to qchem custodian by @Andrew-S-Rosen in #1118
• Refactor Q-Chem calculator by @Andrew-S-Rosen in #1122
• Cleaner parsing of Q-Chem scratch files by @Andrew-S-Rosen in #1124
• Clean up code comments by @Andrew-S-Rosen in #1125
• Clarify docstrings and type hints by @Andrew-S-Rosen in #1126
• Refactor VASP calculator by @Andrew-S-Rosen in #1127
• Clarify VASP default settings by @Andrew-S-Rosen in #1128
• Vasp INCAR co-pilot redesign by @Andrew-S-Rosen in #1129
• Faster checking of workflow engine in settings by @Andrew-S-Rosen in #1131
• Bump prefect from 2.13.8 to 2.14.2 by @dependabot in #1132
• Run docformatter by @Andrew-S-Rosen in #1133
• Add a quacc info command line option by @Andrew-S-Rosen in #1134
• Add phonon maker by @Andrew-S-Rosen in #1137
• Improve phonon handling by @Andrew-S-Rosen in #1138

Full Changelog: v0.3.11...v0.3.12