Tad-dftd3

Bug fix for single precision.

What's Changed
* [pre-commit.ci] pre-commit autoupdate by pre-commit-ci in https://github.com/dftd3/tad-dftd3/pull/26
* Fix NaN's by marvinfriede in https://github.com/dftd3/tad-dftd3/pull/27
* Bump version by marvinfriede in https://github.com/dftd3/tad-dftd3/pull/28


**Full Changelog**: https://github.com/dftd3/tad-dftd3/compare/v0.1.3...v0.1.4

Bugfixes for specific PyTorch versions.

What's Changed
* Fix version-specific bugs by marvinfriede in https://github.com/dftd3/tad-dftd3/pull/24


**Full Changelog**: https://github.com/dftd3/tad-dftd3/compare/v0.1.2...v0.1.3

What's Changed
* Bug fix by marvinfriede in https://github.com/dftd3/tad-dftd3/pull/19
* Make functorch optional by marvinfriede in https://github.com/dftd3/tad-dftd3/pull/20
* Add license headers and bump version by marvinfriede in https://github.com/dftd3/tad-dftd3/pull/21


**Full Changelog**: https://github.com/dftd3/tad-dftd3/compare/v0.1.1...v0.1.2

Warning: Broken Release on PyPI!
Due to an oversight in `setup.cfg`, a required file is missing in the PyPI release. This issue is fixed in the wheel and source distribution, which are attached here below.

What's Changed
* Minor update to README and setup by marvinfriede in https://github.com/dftd3/tad-dftd3/pull/13
* Replace `new_tensor` by marvinfriede in https://github.com/dftd3/tad-dftd3/pull/17


**Full Changelog**: https://github.com/dftd3/tad-dftd3/compare/v0.1.0...v0.1.1

This release introduces small changes to the API. Furthermore, the three-body ATM dispersion term is now available.

What's Changed
* Add CodeQL workflow for GitHub code scanning by lgtm-com in https://github.com/dftd3/tad-dftd3/pull/2
* Implementation of the ATM term by marvinfriede in https://github.com/dftd3/tad-dftd3/pull/3
* Extend docs and minor fixes by marvinfriede in https://github.com/dftd3/tad-dftd3/pull/4
* Extend settings by marvinfriede in https://github.com/dftd3/tad-dftd3/pull/9
* Bump version to 0.1.0 by marvinfriede in https://github.com/dftd3/tad-dftd3/pull/11

New Contributors
* marvinfriede made their first contribution in https://github.com/dftd3/tad-dftd3/pull/3

**Full Changelog**: https://github.com/dftd3/tad-dftd3/compare/v0.0.2...v0.1.0

Changelog

* fix dimensions of reference C6 coefficients
* add helper routine for masking
* ensure autodiff w.r.t. positions works

**Full Changelog**: https://github.com/dftd3/tad-dftd3/compare/v0.0.1...v0.0.2