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Merge remote-tracking branch 'origin/main' into feature/neb-workflow

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Nudged Elastic Band #473

Merge remote-tracking branch 'origin/main' into feature/neb-workflow
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Codecov / codecov/patch succeeded May 29, 2026 in 0s

86.41% of diff hit (target 80.00%)

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86.41% of diff hit (target 80.00%)