擅长:python、mysql、java
<p>感谢纽维尔的回答。为了简单起见,我编写了一个简短的python程序。这也许能澄清我的问题。在</p>
<pre><code>import numpy as np
import scipy.optimize
def func(p,x,ydata):
f=4*p[0]*( (p[1]/x)**12 - (p[1]/x)**6 )
return f
dis=[[3.45454545455,3.63636363636,4.0],[3.54545454545,4.18181818182,5.0],[3.81818181818,4.45454545455,4.90909090909], [3.72727272727,4.36363636364,5.36363636364],[3.90909090909,5.27272727273,6.0]]
ene=[-1.3, -1.4, -2.0, -2.2, -1.3]
xdata=np.array(dis)
ydata=np.array(ene)
p0=[0.5,3.0]
print scipy.optimize.leastsq(func, p0, args=(xdata,ydata))
</code></pre>