7.5. chemistry

Declared in src_chemistry/chemistry_namespace.H; defaults set in InitializeChemistryNamespace() (src_chemistry/chemistry_functions.cpp).

Parameter	Type	Default	Description
nreaction	int	0
rate_const	Real × reactions	required
rate_multiplier	Real	Real(1.)
include_discrete_LMA_correction	int	0
exclude_solvent_comput_rates	int	-1	if n is positive, exclude species n (=solvent) when computing reaction rates in this case, the concentration of the solvent is assumed to be constant, which should be reflected on rate constants. if 0, no species is excluded e.g. U + S -> 2U, if exclude_solvent_comput_rates=0, rate=k*n_U*n_S if exclude_solvent_comput_rates=2, rate=k_new*n_U where k_new=k*n_S
reaction_type	int	required	from the fortran code this was use_Poisson_rng (0=CLE; 1=tau leaping; -1=deterministic; 2=SSA) here it’s being used as reaction_type (0=deterministic; 1=CLE; 2=SSA; 3=tau leap)
use_mole_frac_LMA	int	0	use mole fraction based LMA
alpha_param	Real × reactions	–
beta_param	Real × reactions	–
T0_chem	Real	Real(0.)