Hi,

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.

Regards,

Zhun-Yong

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.

Steve

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