Dear LAMMPS developers,
I am using the LAMMPS code for studying ionic systems. Recently, I was trying to calculate the activation barrier of my system in LAMMPS and I ran into to some problems. I am hoping that you can provide me with some pointers to sort out this problem.
I am using latest LAMMPS version . I am using the following command as mentioned in the LAMMPS manual:
fix NEB oxy neb 0.5
neb 0.000000001 0.001 1000 1000 1000 cord.final
But for fix neb command it shows the error " Invalid fix style (modify.cpp:647)" and for neb command it shows the error “Invalid command”. I also checked all lammps source codes but i didnt find any neb command there. Even in latest version of LAMMPS i didnt find anything about neb.
I thank you very much for your kind consideration of my query and eagerly look forward to your response.
Sincerely,
Harshal Mathurkar