Unit System

The unit system follows LAMMPS’s real style, with the following conventions:

• Distances are measured in \(\text{Å}\) (Ångströms).

• Angles are measured in \(\text{radians}\).

• Temperature is measured in \(\text{K}\) (Kelvin).

• Masses are measured in \(\text{g·mol}^{-1}\).

• Energies are measured in \(\text{kcal·mol}^{-1}\).

• Forces are measured in \(\text{kcal·mol}^{-1}\,\text{Å}^{-1}\).

• Charges are expressed in units of the elementary charge \(e\).

• Densities are measured in \(\text{g·cm}^{-3}\).

All parameter files (e.g. .inc files specifying pair_coeff values) are expected to be written in this real unit style. Using parameters from other unit systems (such as metal or lj) without conversion will lead to physically meaningless results.