For POTEntial=SQUAre-well, a square-well function is used:
(20.10)
where is defined as
(20.11)
is the scale factor specified by the SCALe statement, is the scale
factor specified by the SQCOnstant statement, and , , and
are specified by the ASSIGn statement:
The exponent is specified by
the SQEXponent statement and
is specified by the SQOFfset value.
The distance is defined in Section 20.2.