Tad-mctc

What's Changed
* Write batched XYZ files by marvinfriede in https://github.com/tad-mctc/tad-mctc/pull/48
* Separate workflow files by marvinfriede in https://github.com/tad-mctc/tad-mctc/pull/49
* Resort, make file, fix missing by marvinfriede in https://github.com/tad-mctc/tad-mctc/pull/50
* Fix conf.py path by marvinfriede in https://github.com/tad-mctc/tad-mctc/pull/52


**Full Changelog**: https://github.com/tad-mctc/tad-mctc/compare/v0.1.4...v0.1.5

What's Changed
* Memory/Cache tools and molecule class by marvinfriede in https://github.com/tad-mctc/tad-mctc/pull/45
* Bump version to 0.1.4 by marvinfriede in https://github.com/tad-mctc/tad-mctc/pull/46
* Linting by marvinfriede in https://github.com/tad-mctc/tad-mctc/pull/47


**Full Changelog**: https://github.com/tad-mctc/tad-mctc/compare/v0.1.3...v0.1.4

What's Changed
* Fix artifact path by marvinfriede in https://github.com/tad-mctc/tad-mctc/pull/40
* Add jitted versions by marvinfriede in https://github.com/tad-mctc/tad-mctc/pull/41
* Add more metadata by marvinfriede in https://github.com/tad-mctc/tad-mctc/pull/43


**Full Changelog**: https://github.com/tad-mctc/tad-mctc/compare/v0.1.2...v0.1.3

What's Changed
* Test all PyTorch versions >=1.11.0 by marvinfriede in https://github.com/tad-mctc/tad-mctc/pull/34
* Improve autograd functions by marvinfriede in https://github.com/tad-mctc/tad-mctc/pull/35
* Update .readthedocs.yaml by marvinfriede in https://github.com/tad-mctc/tad-mctc/pull/37
* Trusted Publishing by marvinfriede in https://github.com/tad-mctc/tad-mctc/pull/38


**Full Changelog**: https://github.com/tad-mctc/tad-mctc/compare/v0.1.1...v0.1.2

What's Changed
* More CN tests and fix CUDA tests by marvinfriede in https://github.com/tad-mctc/tad-mctc/pull/31
* Fix typo in license header by marvinfriede in https://github.com/tad-mctc/tad-mctc/pull/32


**Full Changelog**: https://github.com/tad-mctc/tad-mctc/compare/v0.1.0...v0.1.1

Change from LGPL-3.0 to more permissive Apache-2.0 license.

What's Changed
* Simple molecular properties by marvinfriede in https://github.com/tad-mctc/tad-mctc/pull/29
* Change License to Apache-2.0 by marvinfriede in https://github.com/tad-mctc/tad-mctc/pull/28


**Full Changelog**: https://github.com/tad-mctc/tad-mctc/compare/v0.0.6...v0.1.0