Hi Everyone,
Is there way to decompose the VdW potential into specific pairs? Can we print every pairs, distance and energy ?
Thanks in advance,
-Burak
Hi Everyone,
Is there way to decompose the VdW potential into specific pairs? Can we print every pairs, distance and energy ?
Thanks in advance,
-Burak
There is no LAMMPS output file with this format (one quantity for every pair).
But you could write a fix which would be a end-of-step diagnostic which prints
this whenever you want.
Steve