Installation

Requirements

The package requires a version of LAMMPS \(\geq\) Mar2023, which can be downloaded from here. Older versions are not compatible.

Compilation

1. Compile LAMMPS with make following these instructions

2. Copy all files in /Mold/src (from here) directory to the lammps src folder (e.g. /home/user/lammps-28Mar2023/src)

3. Run again make mpi to patch LAMMPS with the Mold package.