This type specifies the Lennard-Jones potential with
periodic boundary conditions (minimum image convention.[53]
The box lengths in the
,
and
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[55] along with subroutine ljpbin or ljpshift.
David Wales
2015-11-16