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test: product-formation Ea limit split at 1e-2 M PMe3 - #31
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Two GitHub runs of the same commit differed by 0.081 and 0.008 kcal/mol at 3.2e-2 M, so the 0.03 limit failed at random there. Up to 1e-2 M the limit stays 0.03; above it, 0.12, like the DRC check's split. Co-Authored-By: Claude Opus 5.5 <noreply@anthropic.com>
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The nightly's pre-YAML comparison failed at random on product-formation Ea at 3.2e-2 M PMe3: two GitHub runs of the same commit (#30) gave 0.081 and 0.008 kcal/mol, against a 0.03 limit.
tests/check_equivalence.pynow splits this limit at 1e-2 M, like its DRC check already does:Checked on the results of both CI runs and a local run: all print
Run matches the baseline.The comparison with the paper (tests/check_reproduction.py) is unchanged.🤖 Generated with Claude Code