[lammps-users] pair_write

Dear Lammps users,

Is pair_write command calculate the inter atomic forces between two atoms as a function to inter atomic distances? Can I calculate the inter atomic forces while considering the EAM potential from this command? What is the meaning of outer and inner cut off distances?

Thanks in advance.

You can use pair_write with EAM, but you'll only get the pairwise
part of the potential. The other part comes from density of
surrounding atoms at an atom, so it's not really a well-defined
quantity for a single pair of atoms.


The inner/outer cutoffs are described in the doc page. You are
tabulating the potential as a function of distance between 2 end points.