v2.0.0-beta

Beta release of upcoming/in-progress version 2 functionality.

What's Changed

• Add adduct ensemble functionality by @smcolby in #12
• Tinker overhaul by @jessbade in #13
• Add method to add implicit hydrogens by @smcolby in #15
• Fix XTB single point optimization functionality by @smcolby in #17
• Version change by @jessbade in #19
• RDKit MD by @jessbade in #24
• Add ORCA as QM backend by @smcolby in #26
• Reenable attribute propagation from QM result to geometry instance by @smcolby in #31
• Update to rdkit md default by @jessbade in #35
• Incorporate charge handling by @smcolby in #36
• Overhaul MD code to support decoupling of separate run/parsing functionality by @smcolby in #37
• Separate parsers by @smcolby in #33
• Remove openbabel by @smcolby in #40
• Separate finish and parse functionality by @smcolby in #41
• Update conda recipe and actions for continuous integration by @smcolby in #42
• Update continuous integration to use rattler-build by @smcolby in #43

Full Changelog: v0.1.0...v2.0.0-beta