tad-multicharge

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

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

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

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

What's Changed

• Fix docs by @marvinfriede in https://github.com/tad-mctc/tad-multicharge/pull/3
• Refactor typing by @marvinfriede in https://github.com/tad-mctc/tad-multicharge/pull/4
• Bump version to 0.0.2 by @marvinfriede in https://github.com/tad-mctc/tad-multicharge/pull/5

Full Changelog: https://github.com/tad-mctc/tad-multicharge/compare/v0.0.1...v0.0.2

The initial release contains the (non-periodic) implementation of the EEQ charge model (including actinides).