[lammps-users] minimum image convention for LJ/cut

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1

Dear Lammps-users,

I am looking over the code and am a little confused. How is the minimum image convention invoked for the LJ potential or the lj/cut/coul/long potential? I see that the function domain->minimum_image() is called for lj/cut/coul/long/tip4p, but not the others. I thought the minimum images might be taken into account at the time of the neighbor lists builds, but I don't see that either. Just a quick pointer to a line or region of the code would help me out a lot!

Thanks for your help,

Joyce

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The PBC are applied when ghost atoms are created, which
in when they are communicated - e.g. in atom_vec_atomic.cpp

The TIP4P pair potential is unique, b/c it has to find other
atoms in the water molecule, which may be on the other side
of the box. Hence it applies minimg() directly.

Steve