部分代码:
double Pot_energy(int NTOT, Atom *atom, Position *position_start)
{
double Separation(int i, int j, Position *position, Ratio *ratio);
double E_pot_tot, cw, r_m;
int i, j;
double r_ij;
Position *position;
Ratio *ratio;
position =position_start;
E_pot_tot=0.0;cw=93.16*1.380662e-23;r_m=3.868;
void Force_tot(int NTOT, Atom *atom, Position *position_start,
Force *force_start)
{
double Separation(int i, int j, Position *position, Ratio *ratio);
double Force_tot, cw, r_m;
long double dummy_rm6, dummy_rm12;
int i, j;
long double r_ij;