Simulation Theory, Molecular Dynamics, Science, Python, Programming.
calculated in a brute-force manner, we need to visit 99 atoms for each force calculation. (100 atoms) x (99 force calculations/atom) ~10⁴ pairwise force calculations Now consider a slightly larger system…1000 atoms. (1000 atoms)*(999 force calculations/atom) ~10⁶ pairwise force calculations This