GaMD {

For i = 1, …, ntcmd // run short initial conventional molecular dynamics

Calculate Vmax, Vmin, Vavg, sigmaV

End

Calc_E_k0(iE,sigma0,Vmax,Vmin,Vavg,sigmaV)

For i = 1, …, nteb // Equilibrate the system after adding boost potential

deltaV = 0.5*k0*(E-V)**2/(Vmax-Vmin)

V = V + deltaV

Update Vmax, Vmin, Vavg, sigmaV

Calc_E_k0(iE,sigma0,Vmax,Vmin,Vavg,sigmaV)

End

For i = 1, …, nstlim // run production simulation

deltaV = 0.5*k0*(E-V)**2/(Vmax-Vmin)

V = V + deltaV

End

}

Subroutine Calc_E_k0(iE,sigma0,Vmax,Vmin,Vavg,sigmaV) {

if iE = 1 :

E = Vmax

k0′ = (sigma0/sigmaV) * (Vmax-Vmin)/(Vmax-Vavg)

k0 = min(1.0, k0′)

else if iE = 2 :

k0″ = (1-sigma0/sigmaV) * (Vmax-Vmin)/(Vavg-Vmin)

if 0 < k0” <= 1 :

k0 = k0”

else

k0 = 1.0

end

E = Vmin + (Vmax-Vmin)/k0

end

}