Hello,
I have developed a moment tensor potential (MTP) for my system. I want to perform a PKA simulation for the system. For this work, I need combine the MTP potential with the ZBL potential. Is there any way to include a smoothing function in LAMMPS while combining these two potentials so that I have a smooth transition?
Thank you!
If MTP is a pair-wise additive potential, then you may try to spline together your potential and ZBL with tabulation. Otherwise, you will likely have to create a new pair style like it is done in pair style tersoff/zbl. I was initially thinking that it may be possible to do it with pair style hybrid/scaled, but I could not come up with a way to have an atom style variable that is suitable for a switching function.