Where erf (•) and erfc (•) are the error function and complementary error function, respectively, α is the Ewald convergence parameter and |⃗ r ab | is the distance between two interacting atoms a and b. The short-range term is handled through direct, pair-wise interactions and the long-range term is handled through GLST. The simulation box is divided into cells, and the interaction between atom a in a cell with atoms b in a non-neighboring cell (C ) is: