6.11 Variables

The program maintains a set of internal variables. These may be used in place of floating point numbers anywhere in the input. Before their use, variables must be defined as described in detail in Section 6. Variables are useful for running the same input with different actual parameters (e.g. geometries or basis function exponents), and to store and manipulate the results. They can also be used to change record names automatically when several geometries are calculated in one run. It is thus possible to save the information for each geometry separately in different records and variables. Arrays are variables with an index in parenthesis, e.g., var(1). The number of elements in an array var is #var. The array length can be reset to zero by the CLEAR directive or simply by modifying #var. Variables and variable arrays may be displayed at any place in the output by the SHOW command, and whole tables of variables can be generated using the TABLE command. For more details about variables see section 6.

Variables can also be used for passing input parameters to the program. This is useful for procedures, which are described in Section 4.8.