LP

This type specifies the Lennard-Jones potential with periodic boundary conditions (minimum image convention.[#!allent87!#] The box lengths in the x, y and z directions and the cutoff (as a fraction of the smallest box length) must be specified using the PARAMS keyword in the odata file. Setting a negative value for the cutoff fraction means that all minimum images are included. Subroutines used: ljpdiff. If the BINARY keyword is specified then a binary Lennard-Jones potential is used[#!sastryds98!#] along with subroutine ljpbin or ljpshift.