For POTEntial=SYMMetry, a soft-square function (Eq. 18.10) is used to restrain signed distance differences to specified values. The two distances are specified by a pair of ASSIgn statements:

The second distance of a given pair of distances is subtracted from the first; the distance difference can have negative values. The functional form is similar to the soft-square function (Section 18.3.3), except that the switching region is symmetrically arranged around the ideal distance difference (i.e., the program switches to the soft asymptote for as well as for ) and is defined as

where **D** denotes the distance difference between
the two assigned distances.
The distances and are obtained by various
averaging methods as described in Section 18.2.

Sat Mar 11 09:37:37 PST 1995