3.6.4. Error Checks

The Gas-phase Kinetics Pre-processor checks each input line for proper syntax and writes diagnostic messages on logical file LOUT if errors are encountered. If an error condition occurs, the Pre-processor continues to read and diagnose the input, but an error flag is written to the Linking File and the Gas-phase Kinetics subroutine CKINIT will not initialize the work arrays. Therefore, the input must be error free before any of the Gas-phase Kinetics subroutines can be called. The possibilities for an error condition are listed Table 3.9: Error Checks .

Table 3.9: Error Checks

Data Type	Possible Errors
Element Data	Atomic weight for an element or isotope is not declared, and the element is not found in the Pre-processor’s 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 Data	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 Data	No thermodynamic data have been found for a declared species.
Thermodynamic Data	Thermodynamic data are format sensitive and therefore provide possibilities for error if not formatted exactly as described by Table 2.1: 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 2.1: Summary of the Rules for Thermodynamic Data ) is not found.
Reaction Data	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.
	There are more than six reactants or six products.
Auxiliary Reaction Data	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`, `CHEB` and/or `PLOG` 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.
	There are more than or less than two reactants specified with `XSMI` or `MOME` keywords.
	An ionic species is not specified as a reactant with the `XSMI` keyword.
	The electron is not a reactant when using the `MOME` keyword.
	`USRPROG` given for a `USRPROD` mechanism.
	`USRPROG` given for a reversible reaction.