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10.1 Setting variables

SET,variable,expression [,] [unit], ...

unit is an optional string, which can be used to associate a unit to a variable. It is simpler to define variables using the following new form:

variable = expression [,] [unit], ...

A variable definition is recognized by the equals sign in the first field of the input card. For instance,

R=1 ANG, THETA=100 DEGREE

defines the variables R and THETA, but

THRESH,ENERGY=1.d-8,GRADIENT=1.d-5

does not define variables; here ENERGY and GRADIENT are keywords to be recognized by the program.



P.J. Knowles and H.-J. Werner
molpro@tc.bham.ac.uk
Jan 15, 2002