Lorentz-Berthelot mixing rules

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1

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

2

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.