next up previous contents index
Next: energy_data.coulomb_switch Coulomb Up: The energy_data class: objective Previous: energy_data.radii_factor scale   Contents   Index

energy_data.lennard_jones_switch -- Lennard-Jones switching parameters

These are the parameters $ f_1$ and $ f_2$ to the Lennard-Jones switching function, which smoothes the potential down to zero; see equation A.89. The default values are

$\displaystyle 6.5, 7.5$

.


Automatic builds 2010-04-21