v0.6.1

What's Changed

• Weighted polarizabilities by @marvinfriede in #101
• Add missing reference values for Rn by @marvinfriede in #103
• Bump version to 0.6.1 by @marvinfriede in #104

Full Changelog: v0.6.0...v0.6.1

v0.6.0

What's Changed

• D4S Model by @marvinfriede in #95
• Fix typo by @marvinfriede in #96
• Update docs by @marvinfriede in #97
• Bump version to 0.6.0 by @marvinfriede in #98
• Remove unused variable by @marvinfriede in #99
• Fix doc build by @marvinfriede in #100

Full Changelog: v0.5.3...v0.6.0

v0.5.3

What's Changed

• Fix release workflow by @marvinfriede in #92
• Allow property calculation by @marvinfriede in #93

Full Changelog: v0.5.2...v0.5.3

v0.5.2

What's Changed

• Remove excessive permissions in GA by @marvinfriede in #85
• Bump artifact actions to V4 by @marvinfriede in #87
• Conda and pip badges by @marvinfriede in #91
• Skip two-body term if s6=s8=0 by @marvinfriede in #89

Full Changelog: v0.5.1...v0.5.2

v0.5.1

What's Changed

• Analytical weight gradients by @marvinfriede in #78
• Set dtype and device in trapzd by @marvinfriede in #80

Full Changelog: v0.5.0...v0.5.1

v0.5.0

What's Changed

• Lift PyTorch minor version restriction by @marvinfriede in #73
• Fix zizmor security issues in GA by @marvinfriede in #74
• GFN2 reference charges by @marvinfriede in #76

Full Changelog: v0.4.0...v0.5.0

v0.4.0

What's Changed

• Read parameters from TOML file by @marvinfriede in #69
• PyTorch 2.5.1 by @marvinfriede in #71

Full Changelog: v0.3.0...v0.4.0

v0.3.0

Support PyTorch 2.4.1

What's Changed

• Update workflows to 2.4.1 by @marvinfriede in #65

Full Changelog: v0.2.0...v0.3.0

v0.2.0

What's Changed

• Support Python 3.12 by @marvinfriede in #60

Full Changelog: v0.1.2...v0.2.0

v0.1.2

What's Changed

• Fix link by @marvinfriede in #54
• Fix coverage badge by @marvinfriede in #56
• Move data to CUDA before indexing by @marvinfriede in #57

Full Changelog: v0.1.1...v0.1.2