[lammps-users] force on atoms

Dear all

I am trying to learn LAMMPS now and use it to calculate the tensile property of carbon nanotubes. I build a finite length tube, fix the atoms at one end and set a constant velocity on the atoms of the other end. one thing I wish to get is the force-time curve.

My question is that which command I can use to computer the resultant force on each fixed atom? I read the help documents and the ‘compute’ command but fail to find the answer. Would you please help me on it?



You can dump the force on atoms to a file. You can
sum up the force/atom via the compute reduce command,
which result can be printed with thermodynamics or time
averaged, etc. See Section 4.15 of the manual for
an overview.