AX

Lennard-Jones potential plus a variable quantity of the Axilrod-Teller triple-dipole term[38,39] with units $ \sigma=\epsilon=1$. The pre-multiplication factor for the three-body term, $ Z^*$, is specified by the PARAMS keyword. If a multiplier of $ 0.0$ is specified the Axilrod-Teller derivatives and energy are not calculated, thus providing a route to the pure Lennard-Jones potential in reduced units. Subroutines used: ardiff, apairs, axdiff, axpairs.



David Wales 2017-11-22