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Wrap up GasKinetics #1101
Wrap up GasKinetics #1101
Commits on Nov 29, 2021
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[Kinetics] Implement Kinetics::getThirdBodyConcentrations
The vector of length nReactions() holds effective third-body concentrations for any reaction type.
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[Kinetics] Make shared ReactionData more flexible
Enable more generic handling of non-trivial concentration dependencies
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[Kinetics] Small adjustments and fixes
* Remove redundante constructors * Create ArrheniusRate from empty node * Enable output of C++ type * Fix pre-exponential factor for stand-alone reaction rates
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Fix warnings/compilation errors
Declare ReactionRateBase::type as const Declare (virtual) destructors
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[Python] Use member variable to access C++ falloff
Casting to Falloff3 requires specialized cxx_set_object methods.
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[Kinetics] Eliminate need to template ReactionRate types
Only the MultiBulkRate class actually needs to see the methods that take the shared "DataType" object as an argument and use that to evaluate the rate.
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Commits on Nov 30, 2021
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[Kinetics] Add suffix *Rate to falloff class names
Further: * rename get/setData to get/setFalloffCoeffs, and rename associated Python properties to 'falloff_coeffs'
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[Kinetics] Add suffix *Rate to Arrhenius, BlowersMasel, Plog and Cheb…
…yshev Also, rename 3-argument versions of setParameters to setRateParameters in Plog, ArrheniusBase and BlowersMasel, and clarify/streamline some docstrings. There no longer is a need for Arrhenius3 and BlowersMasel3.
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[Kinetics] Implement setters/getters for allowNegativePreExponentialF…
…actor * Simplify exception handling for Falloff::m_negativeA_ok * Implement setters/getters for thirdBodyConcentration.
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Commits on Dec 1, 2021
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Commits on Dec 2, 2021
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[1D] Do not impose bounds on inactive solution components
For flame simulations that don't use the 'eField' solution component, replace the default solution bounds which require this component to remain exactly zero with arbitrarily wide bounds. Small rounding errors can occasionally cause the solver to want to have this component take on a small nonzero value, which could not be satisfied for any step size, resulting in solver failure.
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[YAML] Fix glitch in formatDouble serialization
Previous implementation assumed number format with four letter exponent blocks; this fix ensures that formatting is correct for very small/large numbers that use five letter exponent blocks (e.g. 'e+100')
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