New Features 🎉
- Aims magnetic ordering by @tpurcell90 in #922
- Ferroelectric Workflow 2 by @fraricci in #1012
- Feat: GW workflow with VASP by @yanghan234 in #808
Enhancements 🛠
- Allow energy minimization maker to report energies by @orionarcher in #1004
- Implementation to adjust get_supercell_size to also generate orthorhombic supercells by @QuantumChemist in #923
- MPMorph Flows by @BryantLi-BLI in #938
House-Keeping 🧹
- Fix
ruffPLC0206 by @janosh in #1009 - Update MACE to 0.3.6 by @orionarcher in #1032
- Allow custom mace model by specifying "model" in calculator kwargs" by @orionarcher in #1017
- feat: add dedicated fireworks optional dependency (Fix #1033). by @hongyi-zhao in #1035
- Make testing utils importable by @jmmshn in #1037
New Contributors
- @fraricci made their first contribution in #1012
- @hongyi-zhao made their first contribution in #1035
- @BryantLi-BLI made their first contribution in #938
- @yanghan234 made their first contribution in #808
Full Changelog: v0.0.17...v0.0.18