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]...>: