SIMPLE-DATA

There are five kinds of SIMPLE-DATA,

SIMPLE-DATA -> STR|BIN|INT|REAL|CPX

These SIMPLE-DATA correspond to the five basic types in Fortran: STR represents strings, BIN represents binary or logical values, INT represents integers, REAL represents 8-byte real numbers, and CPX represents 8-byte complex numbers. The Fortran kind of each of these basic types is set when the program is compiled, and defined in the macros file. It can be changed.

The following are the specific definitions which you may type to have valid representations of these SIMPLE-DATA:

STR  -> {^BLANK}*|"{^"}*"
BIN  -> true|t|yes|y|false|f|no|n
INT  -> [+|-] POSITIVE-INT
REAL  -> PLAIN-REAL [UNIT-SPECIFIER]
CPX -> PLAIN-REAL PLAIN-REAL [UNIT-SPECIFIER]

PLAIN-REAL      -> INT[.[POSITIVE-INT]][d|eINT]
UNIT-SPECIFIER -> angstrom|angstrom^2|meter|amu|wavenumber|ev|
                  kelvin|joule|kilojoule|kjoule|kj|kcal/mol|
Examples of input for these basic types may be found in Table 2 in the Section called How do I enter data? in the chapter called Using TONTO to do calculations>.

Note that REAL and CPX quantities may be followed by a UNIT-SPECIFIER, which defined that number with respect to a specific units system. For example, the following would be a valid REAL token:

2.5 angstrom

The program will convert such numbers followed by a unit specifier into a standard unit system, usually atomic units, or for angles, the generic unit system is radians. Programmers should note that it is illegal for any keyword to be the same as a UNIT-SPECIFIER.