v0.3.6
[0.3.6]
Added
- Added a
VASP_MIN_VERSION
setting.
Fixed
- Fixed VASP recipes to always respect
calc_swaps
by default. - Fixed setting multiple cores in Custodian for Q-Chem runs.
What's Changed
- Update Parsl docs by @Andrew-S-Rosen in #1035
- Update index.md by @Andrew-S-Rosen in #1041
- Update jobflow instructions by @Andrew-S-Rosen in #1042
- Update docs by @Andrew-S-Rosen in #1043
- Bump covalent-hpc-plugin from 0.0.5 to 0.0.7 by @dependabot in #1045
- Bump emmet-core from 0.69.6 to 0.69.11 by @dependabot in #1046
- Bump torch from 2.0.1 to 2.1.0 by @dependabot in #1047
- Bump custodian from 2023.7.22 to 2023.10.9 by @dependabot in #1048
- style: format code with Black, isort and Prettier by @deepsource-autofix in #1051
- Bump maggma from 0.57.0 to 0.57.2 by @dependabot in #1052
- Bump parsl from 2023.9.25 to 2023.10.2 by @dependabot in #1053
- style: format code with Black, isort and Prettier by @deepsource-autofix in #1054
- Emphasize Parsl more in the docs by @Andrew-S-Rosen in #1040
- Always obey the user's
calc_swaps
inVasp
calculator. by @Andrew-S-Rosen in #1056 - Modify MP workflow to match that in atomate2 by @Andrew-S-Rosen in #1033
Full Changelog: v0.3.5...v0.3.6