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Native 1-D flames verified against Cantera; finite-difference default; refreshed docs - #87
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Add PLOG and single-region NASA7 support
Add allocation-free kinetics workspaces
Support named colliders in PLOG reactions
…dual Follow Cantera's mass-action rules for negative concentrations (all kinetics)
Make the Cantera-identical finite-difference discretization the default for free and burner flames
# Conflicts: # README.md
Co-Authored-By: Claude Opus 5.5 <noreply@anthropic.com>
Co-Authored-By: Claude Opus 5.5 <noreply@anthropic.com>
Concise README; move details into the Documenter docs
…cripts Co-Authored-By: Claude Opus 5.5 <noreply@anthropic.com>
Parity diagnostic scripts: harness location from NH3_HARNESS_DIR
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Merge the development line from Subsapce-Lab/Arrhenius.jl: native one-dimensional flame solvers verified against Cantera, plus refreshed documentation.
What is new
Flow1Dequations; the conservative scheme remains available through thediscretizationkeyword.Verification
Two independent checks against Cantera on NH3/H2 flames (several mechanisms, all flame kinds, 1-5 atm), with Newton-converged references:
On a validation set of 26 conditions all are accepted; on a separate held-out set of 15 conditions 13 are accepted, and the two others have references that are not grid-converged.
Speed relative to Cantera varies by case (faster in many, slower in some); performance work continues.
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