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AX

Lennard-Jones potential plus a variable quantity of the Axilrod-Teller triple-dipole term[16,17] 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 2002-10-28