# This folder contains examples for pace in LAMMPS


## Compute pace usage
compute/latte_cell_0.data            # lammps data file with C-H-O structure
compute/latte_cell_0.xyz             # xyz file with C-H-O structure 
compute/coupling_coefficients.yace   # .yace file containing coupling coefficients (or ACE potential parameters)
compute/in.compute                   # input file for calling `compute pace`