the question of checking atom vector every stepand moliere potenial

Thanks so much for your great help!
It’s OK for me to solove the Question 1 with fix wall/reflect.
For the question 2, I want to use tersoff/ZBL in lammps
I don’t know whether is OK to change the some parameter in SiC.tersoff.zbl file?
for example, I set 0 to A and X_ij*B which are two parameters in SiC.tersoff.zbl file, so the part of tersoff potential will be 0 during the caculation. Meanwhile I set Z_i and Z_j with the value of Argon and C.
Will it be OK for caculation during the simulation?
Thanks a lot again!


The format of the Tersoff file and the associated
formulas are documented on the Tersoff doc page.
Follow that and try it and see?