atoms.h (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