Dear LAMMPS community,
I am wondering why LAMMPS doesn’t include an option to compute the LJ parameters for dissimilar atoms using the Lorentz-Berthelot rules.
Is there a better way than to manually add N lines of pair_coeff for each new atom type we include in our simulation system?
Best,
David
Dear LAMMPS community,
I am wondering why LAMMPS doesn't include an option to compute the LJ
parameters for dissimilar atoms using the Lorentz-Berthelot rules.
it *is* available.
Is there a better way than to manually add N lines of pair_coeff for each
new atom type we include in our simulation system?
use: pair_modify mix arithmetic
axel.