Hi everyone,
I am new to LAMMPS and currently working on a model which consists of 60,000 atoms. It has 3 potentials, namely, bonded, angle and non-bonded. My input script has all the potentials in tabular form: "table spline (data point)".
The error I am trying to debug is "Bond length < Table inner cut-off". I am not able to relate these two quantities.
Could you please help me out with this?
Thanks and regards.
Does this occur at time zero or after some dynamics? If it's the former, you have a bad initial configuration. If it's the latter, you are either running a simulation that creates conditions beyond the scope of your potential by bringing the atoms too close together (which means that the potential is inadequate to reproduce the physics of your problem) OR your timestep is too large and your atoms are moving too much in each timestep, in which case you may want to use fix dt/reset, or simply decrease your timestep.
-Keith