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Nudged Elastic Band#473

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CompRhys wants to merge 2 commits intomainfrom
feature/neb-workflow
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Nudged Elastic Band#473
CompRhys wants to merge 2 commits intomainfrom
feature/neb-workflow

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This attempts to revive @mstapelberg's NEB work which was documented in #90. This is LLM assisted migration of the older code which does not yet work.

@CompRhys CompRhys added feature Entirely new features, not improvements to existing ones keep-open PRs to be ignored by StaleBot labels Feb 28, 2026
@CompRhys CompRhys changed the title Nudged Elastic Band. Nudged Elastic Band Feb 28, 2026
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