Molecular Dynamics, Modeling, Algorithms, Python, Programming.
else image_atom_y_pos = atom_y_pos + unit_celll_length*y_shift image_atom_x_pos = atom_x_pos + unit_celll_length*x_shift Implications of PBCs: Image Atom Interactions Simulations in MD almost always require using a cutoff radius for calculating interatomic forces — restricting interactions between