/*
 * Hacking atoms
 */

enum SPECIES
{
  C_SP3, C_SP2, C_SP, H, N_SP3, N_SP2, N_SP, O_SP3, O_SP2
};

class atom
{
 public:
  atom (void);
  atom (enum SPECIES species, double charge,
	double x0, double x1, double x2);
  enum SPECIES species;
  double mass, charge, evdw, rvdw;
  double x[3], v[3], f[3];
  void zero_force ();
  void iterate_motion (double time_step);
  double kinetic_energy ();
};