MD.NzDemo

Molecular dynamics in Python https://nznano.blogspot.com/2017/11/molecular-dynamics-in-python.html

Calculate_Temperature(vel, BoxSize, DIM, N)

Compute_Forces(pos, acc, ene_pot, epsilon, BoxSize, DIM, N)

aminate(pos_list, BoxSize)

demo()

main(pos, NSteps, deltat, TRequested, DumpFreq, epsilon, BoxSize, DIM, notebook=False, save_traj=False)

simulate(DIM=2, N=32, BoxSize=10.0)