v0.9.2
[0.9.2]
Added
- Added support for controlling which properties to calculate with MLP static jobs
Changed
- Bumped minimum version of pymatgen
What's Changed
- Fix
validate_espresso_parallel_cmd
type hint by @Andrew-S-Rosen in #2198 - Bump dask[distributed] from 2024.5.1 to 2024.5.2 by @dependabot in #2202
- add PARSL_MPI_PREFIX as prefix by @tomdemeyere in #2197
- pre-commit autoupdate by @pre-commit-ci in #2204
- Bump pydantic-settings from 2.2.1 to 2.3.0 by @dependabot in #2205
- Bump pydantic from 2.7.2 to 2.7.3 by @dependabot in #2206
- Bump parsl[monitoring] from 2024.5.27 to 2024.6.3 by @dependabot in #2210
- Bump prefect[dask] from 2.19.3 to 2.19.4 by @dependabot in #2211
- minor cleanup by @Andrew-S-Rosen in #2213
- Fix type hint by @Andrew-S-Rosen in #2214
- Bump chgnet from 0.3.5 to 0.3.8 by @dependabot in #2215
- Bump pydantic-settings from 2.3.0 to 2.3.1 by @dependabot in #2216
- Bump shakenbreak from 3.3.3 to 3.3.4 by @dependabot in #2217
- Bump pymatgen from 2024.5.1 to 2024.5.31 by @dependabot in #2196
- Bump pymatgen from 2024.5.1 to 2024.6.4 by @dependabot in #2212
- Support in run_calcs for models that implement arbitrary properties, and support for MLPs that don't have forces by @zulissimeta in #2218
New Contributors
- @zulissimeta made their first contribution in #2218
Full Changelog: v0.9.1...v0.9.2