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Ax

Lennard-Jones potential plus a variable quantity of the Axilrod-Teller triple-dipole term[13,14] with units 18#18. 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
10/20/1999