Exemplo n.º 1
0
        df.to_excel('legendre_out/DATA/%s/%sIntegrandSplinePoints%f.xlsx' %
                    (ch, ch, T))

        integrand_x = E[e_mask1]
        integrand_y = integrand[e_mask1]
        if ch == 'p2' or ch == 'a1':
            integrand_x = np.ma.concatenate([integrand_x, E[e_mask2]])
            integrand_y = np.ma.concatenate([integrand_y, integrand[e_mask2]])

        df = pd.DataFrame(data=integrand_x, columns=['integrand_x'])
        df = df.assign(
            integrand_y=pd.Series(integrand_y, index=df.index).to_numpy())
        df.to_excel('legendre_out/DATA/%s/%sIntegrandDataPoints%f.xlsx' %
                    (ch, ch, T))

        intg = spline1.integral(min(E1), max(E1))
        if ch == 'p2' or ch == 'a1':
            intg += spline2.integral(min(E2), max(E2))

        # rate =  3.7313E10 * mu**(-.5) * T**(-1.5) * intg
        rate = rxnRateCONST * mu**(-.5) * T**(-1.5) * intg
        rxnRate.append(rate)

    # Make different sheets for integrand for each temperature
    with pd.ExcelWriter('legendre_out/integrand/%s_integrands.xlsx' %
                        ch) as writer:
        for ind in range(len(tempNames)):
            # print(tempNames[ind])
            tempdf = pd.DataFrame(data=integrandList[ind],
                                  index=eList[ind],
                                  columns=['Integrand'])