Hi Guys
How can I use truncated and shifted L-J potential with the form of:
4epsilon*[(sigma/r)^12-(sigma/r)^6-(sigma/rc)^12+(sigma/rc)^6]
Which pair style should I use? I used pair_style lj/sf but I took an error:
Invalid pair style
Best regards
Hi Guys
How can I use truncated and shifted L-J potential with the form of:
4epsilon*[(sigma/r)^12-(sigma/r)^6-(sigma/rc)^12+(sigma/rc)^6]
Which pair style should I use? I used pair_style lj/sf but I took an error:
Invalid pair style
that error means, that you didn't install the (optional) package
before compiling your lammps executable.
on top of that, lj/sf is a "shifted *force*" potential, what
you are asking for is a simple shifted (energy) potential
(with a discontinuity in the force).
the latter is selected simply by using the standard
pair style lj/cut and then pair_modify shift yes
for details, please check out the documentation.
cheers,
axel.