Hi everybody
How could I use a general m-n LJ potential in LAMMPS?
I read manual carefully, but found nothing!!
Is there such option?
Any hint is welcome.
Hi everybody
How could I use a general m-n LJ potential in LAMMPS?
I read manual carefully, but found nothing!!
Is there such option?
with the latest LAMMPS version (the new stable version was released today),
you can now implement custom (pairwise additive) pair styles in python
http://lammps.sandia.gov/doc/pair_python.html
and then, if successfully tested, use the pair_write command to safely
generate tabulation files suitable for pair style table, to run those
custom interactions with optimal performance (on CPU and GPU).
axel.
For this case, however, there is also the Mie pair style:
http://lammps.sandia.gov/doc/pair_mie.html