Will LAMMPS consider the periodic images of atoms in bonds?

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1

Hello,

I am new to LAMMPS and have a basic question about periodic images of atoms in bonds. Suppose I consider the bond between two atoms (1 and 2). Does LAMMPS bond 1 to 2 directly using the distance calculated by their coordinates in the unit cell, or find the periodic image of 1 which is closest to 2 and use that distance? Thank you.

Jiajie Zhu

2

It uses the periodic minimum image. And LAMMPS doesn’t make the “bond”,
you specify that 1-2 are bonded in the input data file.

Steve