Thermostats_ODE.py 文件源码

def TC_Simulate(Mode,initialCondition,time_bound):
    time_step = 0.05;
    time_bound = float(time_bound)
    initial = [float(tmp)  for tmp in initialCondition]
    number_points = int(np.ceil(time_bound/time_step))
    t = [i*time_step for i in range(0,number_points)]
    if t[-1] != time_step:
        t.append(time_bound)

    y_initial = initial[0]

    if Mode == 'On':
        rate = 0.1
    elif Mode == 'Off':
        rate = -0.1
    else:
        print('Wrong Mode name!')
    sol = odeint(thermo_dynamic,y_initial,t,args=(rate,),hmax = time_step)

    # Construct the final output
    trace = []
    for j in range(len(t)):
        #print t[j], current_psi
        tmp = []
        tmp.append(t[j])
        tmp.append(sol[j,0])
        trace.append(tmp)
    return trace


# sol = TC_Simulate('Off',[60],10)
# print(sol)