v0.6.9
[0.6.9]
Added
- Added MP compatability corrections in VASP MP recipes
- Added various phonon recipes for Espresso
- Added various DOS recipes for Espresso
Fixed
- Fixed a rare edge case where final magmoms would not be moved to initial magmoms of next run in MP VASP recipes
What's Changed
- Better thread safety in tests by @Andrew-S-Rosen in #1805
- Fix thread safety of q-chem tests by @Andrew-S-Rosen in #1806
- Fix thread safety in q-chem test by @Andrew-S-Rosen in #1808
- Bump emmet-core from 0.78.0 to 0.78.6 by @dependabot in #1809
- Bump prefect from 2.16.0 to 2.16.1 by @dependabot in #1810
- Espresso Bands job and flow by @Nekkrad in #1701
- Bump pymatgen from 2024.2.23 to 2024.3.1 by @dependabot in #1812
- Revert "Bump pymatgen from 2024.2.23 to 2024.3.1" by @Andrew-S-Rosen in #1813
- Store eigenvectors in phonopy run by @Andrew-S-Rosen in #1815
- Stricter magmom handler and tests by @Andrew-S-Rosen in #1816
- Add more
monty.dev.requires
decorators by @Andrew-S-Rosen in #1817 - Espresso: faster tests by @tomdemeyere in #1819
- Bump pymatgen and shakenbreak by @Andrew-S-Rosen in #1814
- Espresso: q2r and matdyn jobs by @tomdemeyere in #1789
- Apply MP corrections in MP recipes by @Andrew-S-Rosen in #1820
Full Changelog: v0.6.8...v0.6.9