Uncertainty Part 1.5: Adding in quadrature#2933
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sevyharris wants to merge 8 commits intoReactionMechanismGenerator:mainfrom
Draft
Uncertainty Part 1.5: Adding in quadrature#2933sevyharris wants to merge 8 commits intoReactionMechanismGenerator:mainfrom
sevyharris wants to merge 8 commits intoReactionMechanismGenerator:mainfrom
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Up until now the uncertainty tool has assumed the kinetics trees are the original hand-built type. This enables the uncertainty tool to grab the calculated standard deviation and number of training reactions from the specific autogen tree node used, instead of incorrectly treating it as an exact match of a single rate rule with a std dev of 0.5
This value was fitted to median group additivity errors for 564 species with quality thermo libraries See: https://github.com/comocheng/uncertainty_estimator/blob/main/uncertainty_tool_dev/demos/quadrature/specific_examples.ipynb
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Dependencies
Motivation or Problem
This overhauls the uncertainty tool to add uncertainties in quadrature (variances add instead of standard deviations)
Description of Changes (each change corresponds to a commit)
Testing
1. Theory of Adding in Quadrature.pdf