Tad-multicharge

Latest version: v0.3.1

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0.3.1

Bugfix for energy of charged systems and support for PyTorch 2.5.1.

What's Changed
* Release PyTorch version constraint by marvinfriede in https://github.com/tad-mctc/tad-multicharge/pull/28
* Fix: Remove Lagrange multiplier from energy calculation by marvinfriede in https://github.com/tad-mctc/tad-multicharge/pull/29


**Full Changelog**: https://github.com/tad-mctc/tad-multicharge/compare/v0.3.0...v0.3.1

0.3.0

Support Python 3.12 and PyTorch 2.4.1

What's Changed
* Update workflows to 3.12 and 2.4.1 by marvinfriede in https://github.com/tad-mctc/tad-multicharge/pull/24


**Full Changelog**: https://github.com/tad-mctc/tad-multicharge/compare/v0.2.0...v0.3.0

0.2.0

What's Changed
* Test all PyTorch versions >=1.11.0 by marvinfriede in https://github.com/tad-mctc/tad-multicharge/pull/16
* Adapt GA workflows by marvinfriede in https://github.com/tad-mctc/tad-multicharge/pull/18
* Support Python 3.12 by marvinfriede in https://github.com/tad-mctc/tad-multicharge/pull/21


**Full Changelog**: https://github.com/tad-mctc/tad-multicharge/compare/v0.1.0...v0.2.0

0.1.0

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

What's Changed
* Change License to Apache-2.0 by marvinfriede in https://github.com/tad-mctc/tad-multicharge/pull/14
* Proper exports in top-level init by marvinfriede in https://github.com/tad-mctc/tad-multicharge/pull/14


**Full Changelog**: https://github.com/tad-mctc/tad-multicharge/compare/v0.0.4...v0.1.0

0.0.4

Minor parameter update for Actinides.

What's Changed
* Update Actinide parameters by marvinfriede in https://github.com/tad-mctc/tad-multicharge/pull/11


**Full Changelog**: https://github.com/tad-mctc/tad-multicharge/compare/v0.0.3...v0.0.4

0.0.3

What's Changed
* Fix links by marvinfriede in https://github.com/tad-mctc/tad-multicharge/pull/7
* Minor refactor by marvinfriede in https://github.com/tad-mctc/tad-multicharge/pull/8
* Bump version to 0.0.3 by marvinfriede in https://github.com/tad-mctc/tad-multicharge/pull/9


**Full Changelog**: https://github.com/tad-mctc/tad-multicharge/compare/v0.0.2...v0.0.3

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