Style zbl computes the Zeigler-Biersack-Littmark (ZBL) repulsive interaction for describing high-energy collisions between atoms. -(Zeigler). It includes an additional switching function -S(r) that ramps the energy, force, and curvature -smoothly to zero between an inner and outer cutoff. The switching -function is the same one used in pair_style lj/gromacs. +(Zeigler). It includes an additional switching function +S(r) that ramps the energy, force, and curvature smoothly to zero +between an inner and outer cutoff. The switching function is the same +one used in pair_style lj/gromacs.
The inner and outer cutoff are the same for all pairs of atom types.
-A single dimensionless coefficient Z must be defined for each atom -type via the pair_coeff command as in the examples -above, or in the data file or restart files read by the +
The following coefficient must be defined for each pair of atoms types +via the pair_coeff command as in the examples above, +or in the data file or restart files read by the read_data or read_restart -commands. Z is usually taken to be the atomic number -of the element. Z can not be specified for two different atoms types. -Therefore the lists of atom types I and atom types J must match. +commands: +
+Although Z must be defined for all atom type pairs I,J, it is only +stored for individual atom types, i.e. when I = J. Z is usually taken +to be the atomic number of the element that corresponds to the atom +type.
(Zeigler) J.F. Zeigler, J. P. Biersack and U. Littmark, "The Stopping and Range of Ions in Matter," Volume 1, Pergamon, 1985. +
(Zeigler) J.F. Zeigler, J. P. Biersack and U. Littmark, "The +Stopping and Range of Ions in Matter," Volume 1, Pergamon, 1985.