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AX

Lennard-Jones potential plus a variable quantity of the Axilrod-Teller triple-dipole term[37,38] 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.



Chris Whittleston 2013-05-24