Auto-FOX 1.0.0b1
Pre-release
Pre-release
What's Changed
- DEP: Bump qmflows and deal with deprecations by @BvB93 in #280
- ENH: Issue a warning in the psf recipe if the qd or ligands don't have any bonds by @BvB93 in #281
- BUG: Fix an issue with parsing multiple ligands in
generate_psf2
by @BvB93 in #282 - MAINT: General maintenance in preperation for Auto-FOX 1.0.0 by @BvB93 in #283
Full Changelog: 0.10.2...1.0.0b1