Skip to content

Auto-FOX 1.0.0b1

Pre-release
Pre-release
Compare
Choose a tag to compare
@BvB93 BvB93 released this 10 May 08:50
· 85 commits to master since this release
1.0.0b1
5493c7e
This commit was signed with the committer’s verified signature.
BvB93 Bas van Beek
GPG key ID: DF830434920A7F38
Learn about vigilant mode.

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

Contributors

BvB93
Assets 4