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Handle normalised lambda and lambda_grad metadata entries#510

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lohedges merged 3 commits intodevelfrom
fix_lambda_grad_format
Mar 25, 2026
Merged

Handle normalised lambda and lambda_grad metadata entries#510
lohedges merged 3 commits intodevelfrom
fix_lambda_grad_format

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This PR is a fix to handle the updated parquet metadata in somd2, which is required to match the updated energy trajectory record formatting in Sire.

  • I confirm that I have merged the latest version of devel into this branch before issuing this pull request (e.g. by running git pull origin devel): [y]
  • I confirm that I have permission to release this code under the GPL3 license: [y]

@lohedges lohedges added the bug Something isn't working label Mar 25, 2026
@lohedges lohedges temporarily deployed to biosimspace-build March 25, 2026 16:20 — with GitHub Actions Inactive
@lohedges lohedges temporarily deployed to biosimspace-build March 25, 2026 16:20 — with GitHub Actions Inactive
@lohedges lohedges temporarily deployed to biosimspace-build March 25, 2026 16:20 — with GitHub Actions Inactive
@lohedges lohedges temporarily deployed to biosimspace-build March 25, 2026 16:20 — with GitHub Actions Inactive
@lohedges lohedges temporarily deployed to biosimspace-build March 25, 2026 16:20 — with GitHub Actions Inactive
@lohedges lohedges merged commit 0130f10 into devel Mar 25, 2026
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@lohedges lohedges deleted the fix_lambda_grad_format branch March 25, 2026 16:39
lohedges added a commit that referenced this pull request Mar 25, 2026
lohedges added a commit that referenced this pull request Mar 25, 2026
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