3.2.5. Error Checks

The KINetics Pre-processor checks each input line for proper syntax and writes diagnostic messages if errors are encountered. The input must be error free before the KINetics program may be run. The possibilities for an error condition are listed in Table 3.7: Error checks.

Table 3.7: Error checks

Data Type	Possible Errors
Element	Atomic weight for an element or isotope is not declared, and the element is not found in the internal database.
	Atomic weight has been declared, but not enclosed by two slashes (/).
	If an element is declared twice, a diagnostic message is printed, but the duplicate is simply eliminated from consideration and is not considered a fatal error.
Species	If a species is declared twice, a diagnostic message is printed, but the duplicate is eliminated from consideration and is not considered a fatal error.
Species	No thermodynamic data have been found for a declared species.
Thermodynamic	Thermodynamic data are format sensitive and therefore provide possibilities for error if not formatted exactly as described by Table 3.1: Summary of the rules for thermodynamic data.
	An element in the thermodynamic data for a declared species has not been included in the element data.
	With the `THERMO ALL` option, line 2 (Table 3.1: Summary of the rules for thermodynamic data) is not found.
Reaction	A delimiter =>, <=>, or = between the reactants and the products is not found.
	Three Arrhenius parameters are not found.
	Reactants and/or products have not been properly delineated by a plus sign (`+`).
	A species as a reactant or product has not been declared in the species data.
	The reaction does not balance in elements.
	The reaction does not balance in electronic charge.
	A reaction is a duplicate not declared by the auxiliary data keyword `DUP`.
	A third-body species enclosed in parentheses in a fall-off reaction appears as reactant or product, but not both.
	A species is a third-body in a fall-off reaction, and `+M` also appears in the reaction.
	More than one `+M` or third body appear as reactants and/or products.
	`HV` declared body as a reactant and as a product.
	There are more than six reactants or six products.
Auxiliary	There is an unknown or misspelled keyword or enhanced third-body species name.
	Parameters for a keyword are not enclosed in slashes.
	The wrong number of parameters appear for a keyword.
	There are duplicate keywords for a reaction.
	`LOW`, `HIGH`, `TROE`, `SRI`, `PCHEB`, `TCHEB`, or `CHEB` are found after a reaction that did not have a species or `M` in parentheses.
	`LOW`, `HIGH`, or `CHEB` is not found after a pressure-dependent reaction.
	A combination of `TROE`, `SRI`, and/or `CHEB` is found.
	`LT` and `REV` are found for a Landau-Teller reaction, but `RLT` is not found.
	`LT` is given for a fall-off reaction.
	There are more than ten enhanced third bodies.
	`USRPROG` given for a `USRPROD` mechanism.
	`USRPROG` given for a reversible reaction.