Cantera / cantera

Chemical kinetics, thermodynamics, and transport tool suite
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Segfault with undefined/explicit third-body collider #1587

Closed ischoegl closed 10 months ago

ischoegl commented 10 months ago

Problem description

Reactions with explicit third body colliders that are undefined are not caught.

Steps to reproduce

Load minimal YAML

generator: YamlWriter
cantera-version: 3.0.0b1
git-commit: 4b30fa74b
date: Sat Aug 12 07:34:23 2023
phases:
  - kinetics: gas
    name: ""
    skip-undeclared-third-bodies: true
    thermo: ideal-gas
    elements: [H, O, Ar, N]
    species:
    - gri30.yaml/species: [H2, H, O, O2, OH, H2O, HO2, H2O2, AR, N2]
    state:
      T: 1.0e-03
      density: 1.0e-03
      Y: {H2: 1.0}
reactions:
  - equation: 2 H + CO2 <=> H2 + CO2
    rate-constant: {A: 5.5e+14, b: -2.0, Ea: 0.0}

Behavior

Reaction should be skipped (CO2 is not among species, and skip-undeclared-third-bodies is set), but causes segfault instead.

System information

Additional context

Input file is based on output produced for an attempted fix for #1403 (the 'workaround' therein produces the segfault as well)