Source

#ifndef _atoms_h_
#define _atoms_h_

#include "types.h"

#define NUMBONDS 4

typedef struct
{
  enum AtomTypes type;
  double x,y,z;
  double vx,vy,vz;
  double ax,ay,az;
  double potential,newpotential;
  double ndx,ndy,ndz;

  int bonds[NUMBONDS];
} Atom;

#endif