0.12.0

What's Changed

• Fix computing observables without gradients by @SimonBoothroyd in #103
• Support residue information by @SimonBoothroyd in #104
• Support custom non-bonded exceptions by @SimonBoothroyd in #105
• Generalize OpenMM converters by @SimonBoothroyd in #106
• Don't hardcode built-in attrs, and fix docs by @SimonBoothroyd in #108
• Add support for advanced OpenFF handler converters by @SimonBoothroyd in #110
• Allow converting NB potentials with no exclusions by @SimonBoothroyd in #111
• Swap to ruff and setuptools-scm by @SimonBoothroyd in #112
• Detach parameter graph before OpenMM conversion by @SimonBoothroyd in #113

Full Changelog: 0.11.0...0.12.0

0.11.0

What's Changed

• Add tensor reporter ctx manager by @SimonBoothroyd in #101
• Extract additional MM observables by @SimonBoothroyd in #99
• Fix v-site - v-site exclusions missed by @SimonBoothroyd in #102

Full Changelog: 0.10.1...0.11.0

0.10.1

What's Changed

• Fix LRC devices by @SimonBoothroyd in #100

Full Changelog: 0.10.0...0.10.1

0.10.0

What's Changed

• Add DEXP long range correction by @SimonBoothroyd in #98

Full Changelog: 0.9.0...0.10.0

0.9.0

What's Changed

• Add support for DEXP potential by @SimonBoothroyd in #97

Full Changelog: 0.8.2...0.9.0

0.8.2

What's Changed

• Add initial documentation by @SimonBoothroyd in #95
• Support geometric mean forward AD and vmap by @SimonBoothroyd in #96

Full Changelog: 0.8.1...0.8.2

0.8.1

What's Changed

• Fix pydantic >=2.5 module not found error by @SimonBoothroyd in #94

Full Changelog: 0.8.0...0.8.1

0.8.0

What's Changed

• Add std error to MM ensemble avg outputs by @SimonBoothroyd in #92
• Add optional HMR support to MM by @SimonBoothroyd in #93

Full Changelog: 0.7.0...0.8.0

0.7.0

What's Changed

• Add initial support for v-sites in MM ops by @SimonBoothroyd in #91

Full Changelog: 0.6.0...0.7.0

0.6.0

What's Changed

• Improve MM v-site support by @SimonBoothroyd in #89
• Fix v-site charge increment direction by @SimonBoothroyd in #90

Full Changelog: 0.5.2...0.6.0