I am trying to do analysis on a data set of atomic coordinates generated form lammps. I simulated an alpha glycine crystal in a triclinic box. The box vectors look like the following, where xy,xz,and yz, are the tilt factors.
xlo = -0.34; xhigh = 40.466 ylo = -1.6283; yhigh = 49.50861 zlo = 0.77; zhigh = 39.79 xy = -8.62; xz = 0.0; yz = 0.0
In the case of a cubic box, the way to implement periodic boundary conditions is trivial.
However, I cannot seem to figure out how to handle the tilt factors, for the triclinic box, to implement the PBC's correctly . Could someone please provide a code snippet outlining this for me?