v0.6.5

Andrew-S-Rosen released this 10 Feb 21:16

· 922 commits to main since this release

[0.6.5]

Added

PDOS jobs and flows for Espresso

Changed

Modified the Espresso results schema to be DB-compatible
The PRIMARY_STORE setting has changed to STORE and is now formatted more intuitively
Uses 2024 stable release of black

Fixed

Fixed usage of MontyStore as the data store option

Removed

Removed the deprecated "q-chem legacy" recipes

Assets 2