Pair style table

Hi melika.

What units are you working with ?

What kind of LJ potential (12-6 or 6-9) ?

I feel that you might have made a mistake while calculating the forces.

Without knowing the form of the potential it is hard to tell as to where the mistake is.

Are you using an analytical expression for the force calculations ?

please double check your force calculations.

If you feel that its right I am not sure what’s wrong. May be somebody else can help.

Good luck
Arun

I am using metal units and the form (12-6) LJ. For calculating the force I have used the negative dofferentiation of the LJ potential. I really appreciate your help and I am very greatful that you respond in such short time. Iyself have no idea where this is going wrong. Is it possible that lammps is summing the pairwise interactions within the specified radius?
Many thanks

I am using metal units and the form (12-6) LJ. For calculating the force I
have used the negative dofferentiation of the LJ potential. I really
appreciate your help and I am very greatful that you respond in such short
time. Iyself have no idea where this is going wrong. Is it possible that
lammps is summing the pairwise interactions within the specified radius?

​your own tabulation does not look *at all* like the one created by LAMMPS.
that values for energy and force are off by orders of magnitude. that
means, if you used the correct LJ setup with pair style lj/cut, your
tabulation must be wrong.
furthermore​, your tabulated potential file does not follow the file format
required by pair style table. i am a bit surprised that LAMMPS even accepts
it. what is the version of LAMMPS that you are using?

axel.