plot.py

from input import *
import numpy as np
import matplotlib.pyplot as plt

def get_potential_Q6(S, Tau):
    # Input:
    # S (List): A list of collecive variables at every tau steps
    # tau (number): Frequency of gaussian deposition
    # Output:
    # V (List): The potential trace

    X = np.linspace(0,1,100)
    T = np.arange(Tau[0],Tau[-1],meta_tau)
    plt.figure()
    for t in T:
        V = []
        for x in X:
            v = meta_w*sum([np.exp(-(x-S[tau])**2/(2*meta_sigma1**2)) for tau in Tau if tau < t])
            V.append(-v)

        plt.plot(X,V)
    plt.title("Q6")

def get_potential_P(S, Tau):
    # Input:
    # S (List): A list of collecive variables at every tau steps
    # tau (number): Frequency of gaussian deposition
    # Output:
    # V (List): The potential trace

    X = np.linspace(min(S),max(S),100)
    T = np.arange(Tau[0],Tau[-1],meta_tau)
    plt.figure()
    for t in T:
        V = []
        for x in X:
            v = meta_w*sum([np.exp(-(x-S[tau])**2/(2*meta_sigma2**2)) for tau in Tau if tau < t])
            V.append(-v)
        plt.plot(X,V)
    plt.title("Potential")

def get_contour(Q6,P,Tau):
    def f(x,y):
        t = Tau[-1]
        return meta_w * sum([np.exp(-((x-Q6[tau])**2/(2*meta_sigma1**2)+(y-P[tau])**2/(2*meta_sigma2**2))) for tau in Tau if tau < t])

    x = np.linspace(0,0.8,100)
    y = np.linspace(min(P),max(P),100)
    X,Y = np.meshgrid(x,y)

    plt.figure()
    plt.contourf(X,Y,f(X,Y),10,cmap=plt.cm.Blues)
    C = plt.contour(X, Y, f(X, Y), 10,colors='black',linewidths=.5)

    plt.title("Contour")
    plt.xlabel("Q6")
    plt.ylabel("Potential")
    #plt.clabel(C, inline = True, fontsize=5)


if __name__ == '__main__':
    t = []
    tau = []
    temperature = []
    E = []
    Q6 = []
    Q6_tau = []
    P = []
    P_tau = []

    cv = 2
    fileName1 = 'thermo.txt'
    if cv == 1:
        fileName2 = 'Q6_Gauss_Center.txt'
    else:
        fileName2 = 'Q6_PE_Gauss_Centers.txt'

    f = open(fileName1,'r')
    lines=f.readlines()
    f.close()

    for i in range(2,len(lines)):
        line = lines[i].strip('\n').split('  ')
        t.append(float(line[0]))
        temperature.append(float(line[1]))
        E.append(float(line[3]))
        Q6.append(float(line[4]))
        if cv == 2:
            P.append(float(line[5]))


    f = open(fileName2, 'r')
    lines = f.readlines()
    f.close()
    for i in range(2, len(lines)):
        line = lines[i].strip('\n').split('  ')
        tau.append(int(line[0]))
        Q6_tau.append(float(line[1]))
        if cv==2:
            P_tau.append(float(line[2]))

    get_potential_Q6(Q6, tau)
    if cv == 2:
        get_potential_P(P,tau)
        get_contour(Q6,P,tau)

    plt.figure()
    plt.plot(t,Q6)
    if cv == 2:
        plt.figure()
        plt.plot(t,P)
    # plt.show()
    plt.show()