v0.3.5
Summary
Added
- Added a new
VibThermoSchema
that merges theVibSchema
andThermoSchema
as a convenience
Changed
- The output of recies no longer automatically removes blank lists/dicts/sets to maintain a consistent schema.
- The tblite
freq_job
and ljfreq_job
now useVibThermoSchema
as the output - Changed default
SCRATCH_DIR
fromPath.cwd() / ".scratch"
toPath("~/.scratch")
What's Changed
- Update default scratch directory by @Andrew-S-Rosen in #1030
- style: format code with Black, isort and Prettier by @deepsource-autofix in #1031
- Re-order wflow engine import by @Andrew-S-Rosen in #1032
- Add support for a merged frequency and thermo schema by @Andrew-S-Rosen in #1026
Full Changelog: v0.3.4...v0.3.5