Code

Refactoring and better GPU tests#37

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Merged

marvinfriede merged 15 commits intomaindftd3/tad-dftd3:mainfrom refactordftd3/tad-dftd3:refactorCopy head branch name to clipboardDec 3, 2023

+1,177-744

Commits

Commits on Nov 26, 2023

• Update settings

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  11f19d4

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• Huge refactor and better CUDA support

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  99800be

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• Fix tests

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  0b53c8f

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• Fix coverage and minor refactor

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  830d028

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• Fix typing

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  5ef2e53

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• Fix more typing

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  578e188

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Commits on Nov 27, 2023

• Fix even more typing

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  2a8133d

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• Fix tox

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  55b27a7

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• [pre-commit.ci] auto fixes from pre-commit.com hooks

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  2fbd48a

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• Update tox

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  9ec02b7

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Commits on Nov 28, 2023

• Switch to pytest-cov

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  5fd0dfe

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• Fix copy&paste error

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  bbcdf94

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• Write coverage.xml for codecov

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  04aa284

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• Increase required coverage to 90%

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Commits on Nov 29, 2023

• Add link to issue for fast mode gradcheck

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