Dxtb

Latest version: v0.1.1

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0.1.1

Small bug fix release.

What's Changed
* Update conda availability by marvinfriede in https://github.com/grimme-lab/dxtb/pull/170
* Support PyTorch 2.4.1 by marvinfriede in https://github.com/grimme-lab/dxtb/pull/171
* Support Python 3.12 by marvinfriede in https://github.com/grimme-lab/dxtb/pull/172
* Add example for challenging SCF convergence by marvinfriede in https://github.com/grimme-lab/dxtb/pull/173
* Fix batched charges by marvinfriede in https://github.com/grimme-lab/dxtb/pull/180


**Full Changelog**: https://github.com/grimme-lab/dxtb/compare/v0.1.0...v0.1.1

0.1.0

Windows and macOS support (without the libcint interface).

What's Changed
* Add citation by marvinfriede in https://github.com/grimme-lab/dxtb/pull/160
* Improve code quality by marvinfriede in https://github.com/grimme-lab/dxtb/pull/157
* Refactor integral code by marvinfriede in https://github.com/grimme-lab/dxtb/pull/162
* Fix code scanning issues by marvinfriede in https://github.com/grimme-lab/dxtb/pull/165
* Make `libcint` interface optional by marvinfriede in https://github.com/grimme-lab/dxtb/pull/166
* Fix docs and consistency checks in calculator getters by marvinfriede in https://github.com/grimme-lab/dxtb/pull/168

**Full Changelog**: https://github.com/grimme-lab/dxtb/compare/v0.0.1...v0.1.0

0.0.1

Initial release of **dxtb**.

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