[lammps-users] Modifying Source Code

LAMMPS LAMMPS Mailing List Mirror
#1

Dear LAMMPS-creators,

I am using LAMMPS as part of my project to simulate the effects of single atom particles in contact with each other. One of the things I wish to do is modify the source code so that the Lennard-Jones potential (i.e. pair_lj_cut) is shifted upwards by 'E'. However, once I made the modification to the source code (under /src/pair_lj_cut.cpp on line 134 of the file [see below, where I have added +80]

#2

If you could compile LAMMPS before you added 3 characters to one
source file, you should be able to compile it after. You might also
want to look at pair_modify shift which will shift up the LJ energy
function at the cutoff distance to zero.

Steve