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Small fixes and improvements / sparse coefficient matrices #1088
Commits on Sep 3, 2021
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'scons help' reports setting values in terms of 'yes' and 'no' rather than boolean flags that are otherwise used internally. This commit ensures that documentation for the newly added flag 'legacy-rate-constants' is consistent with this convention; accordingly, the setting is either enabled or disabled.
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[Thermo] Fix compilation warning in MixtureFugacityTP.cpp
Compilation with GNU g++ currently raises the following warning. warning: 'nSolnValues' may be used uninitialized in this function [-Wmaybe-uninitialized] The warning is resolved by providing an (invalid) initial value; the value is overwritten by a subsequent (pre-existing) if-else tree.
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[Unittests] Resolve unused variable warning in test-surfSolver2
Resolve GNU g++ warning: warning: unused variable 'p' [-Wunused-variable]
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Commits on Sep 5, 2021
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[Kinetics] Update ChebyshevRate interface
* Use consistent interface based on Array2D * Use column-major consistently in internal calculations * Deprecate Chebyshev::coeffs and Chebyshev::setup
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[Kinetics] Remove unused functions from internal StoichManager.h classes
Several internal methods defined for C1, C2, C3, and C_AnyN are unused; as there are no simple accessor methods defined in StoichManagerN, deprecation appears not to be required.
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[Kinetics] Implement mechanism for Kinetics::finalizeSetup
The 'Kinetics::finalizeSetup' method executes code after all reactions have been added. The new flag 'finalize' is added to 'Kinetics::addReaction' which determines whether 'finalizeSetup' is executed. While the default is 'true', imports within 'KineticsManager' use 'addReaction' with the flag set to 'false'.
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[Kinetics] Merge irreversible and reversible product StoichManagerN
as Kinetics::m_irrevProductManager is only used in conjunction with Kinetics::m_revProductManager, a new Kinetics::m_productManager provides for simpler code.
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[Kinetics] Streamline Chebyshev interface
Deprecate Tmin/Tmax, Pmin/Pmax as well as constructors to use std::pair<double,double> input/output
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[Python] Make sparse API more efficient and deprecate *stoich methods
Deprecate Kinetics.*_stoich_coeffs() method in favor of property: Behavior will change after Cantera 2.6; for new behavior, new properties Kinetics.*_stoich_coefficients are implemented
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[Kinetics] Standardize Plog rates access
This commit unifies parameter handling of Plog rate setters and getters to use std::multimap<...>.
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Commits on Sep 14, 2021
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Commits on Sep 15, 2021
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[Python] Switch sparse matrix output to CSC (from COO) format
This change leverages the default internal storage format in Eigen (CSC)
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Commits on Sep 16, 2021
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Commits on Sep 17, 2021
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[Kinetics] Improve nomenclature for final step of Kinetics setup
Update nomenclature for previously introduced finalizeSetup method; new names are Kinetics::resizeReactions and StoichManagerN::resizeCoeffs
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