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qmc-lttc/plot_hydrogen.py

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#!/usr/bin/env python3
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import numpy as np
import matplotlib.pyplot as plt
from hydrogen import e_loc
x=np.linspace(-5,5)
plt.figure(figsize=(10,5))
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for a in [0.1, 0.2, 0.5, 1., 1.5, 2.]:
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y=np.array([ e_loc(a, np.array([t,0.,0.]) ) for t in x])
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plt.plot(x,y,label=f"a={a}")
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plt.tight_layout()
plt.legend()
plt.savefig("plot_py.png")