chemistry Directory Reference

Files
	element_weights.inc
	kinetics.h
	Device tables of a mechanism's reactions: rates of progress, production rates and their analytical derivatives.
	lanes.h
	Execution of one cell's chemistry by one thread or by the vector lanes of a team: loops over species, reactions and matrix rows, and reductions in a fixed order.
	mechanism.cpp
	Gas-phase mechanisms read from Cantera YAML files.
	mechanism.h
	Gas-phase mechanisms read from Cantera YAML files.
	radiation.h
	Planck-mean absorption coefficients of the optically thin radiation model of the TNF workshop (RADCAL fits; Barlow, Karpetis, Frank & Chen 2001, Combust. Flame 127:2102, doi 10.1016/S0010-2180(01)00313-3).
	reactor.h
	Adiabatic constant-volume reactor: the chemistry of one cell over a splitting step, integrated with RODAS.
	rosenbrock.h
	Adaptive Rosenbrock integrator (RODAS) with dense LU, for one stiff autonomous ODE system per thread.
	sparse_lu.h
	Static-pattern sparse LU of the reactor's Newton matrix for large mechanisms, with the dense rank-one part of the Jacobian (third bodies and pressure-dependent rates) by Sherman-Morrison.
	thermo.h
	Device tables of species thermodynamics and thermally perfect mixture properties.
	transport.cpp
	Species transport fits: a port of Cantera's GasTransport fitting (Cantera 3.2.0, src/transport/GasTransport.cpp and MMCollisionInt.cpp, BSD-3-Clause, Copyright (c) 2001-2025 Cantera Developers), so that Mallard's mixture-averaged properties are Cantera's, with the C* fits of its mixture-averaged thermal diffusion (MixTransport.cpp).
	transport.h
	Species transport fits and mixture-averaged transport properties on the device.
	units.cpp
	Unit conversion for Cantera YAML mechanism files.
	units.h
	Unit conversion for Cantera YAML mechanism files.