[lammps-users] Computing forces between individual atoms


Does anyone know how to compute or make LAMMPS output the force
between two atoms? This would be very helpful to me as I am trying to
figure out a way to calculate the energy flux for which the formula
requires interatomic forces.


If you want the force between every pair of atoms,
then LAMMPS won't do this. That would be a big file.
You could write a fix to do it yourself.

If you want the force between a particular pair of
atoms, and the formula is simple, then you could
write a formula with the variable command to calculate
it and print it out.


2008/6/16 Zhun-Yong ONG <[email protected]>: