next up previous contents
Next: AZ Up: Specification of Potentials Previous: AU, AG and NI   Contents

AX

Lennard-Jones potential plus a variable quantity of the Axilrod-Teller triple-dipole term[38,39] with units σ = ε = 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.