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tad-mctc / tad-multicharge Public

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Fix: Remove Lagrange multiplier from energy calculation#29

Merged

marvinfriede merged 6 commits intomaintad-mctc/tad-multicharge:mainfrom energy-fixtad-mctc/tad-multicharge:energy-fixCopy head branch name to clipboard

Dec 9, 2024

+168-66

Conversation Commits6 (6)Checks Files changed

Commits

Commits on Dec 8, 2024

Remove Lagrange multiplier from energy calculation
marvinfriede
committed
[pre-commit.ci] auto fixes from pre-commit.com hooks
pre-commit-ci[bot]
committed
Add dxtb citation
marvinfriede
committed
Format
marvinfriede
committed

Commits on Dec 9, 2024

Docs
marvinfriede
committed
[pre-commit.ci] auto fixes from pre-commit.com hooks
pre-commit-ci[bot]
committed

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