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28 lines
595 B
Python
28 lines
595 B
Python
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from hydrogen import *
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from qmc_stats import *
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def MonteCarlo(a,tau,nmax):
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sq_tau = np.sqrt(tau)
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# Initialization
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E = 0.
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N = 0.
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r_old = np.random.normal(loc=0., scale=1.0, size=(3))
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for istep in range(nmax):
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d_old = drift(a,r_old)
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chi = np.random.normal(loc=0., scale=1.0, size=(3))
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r_new = r_old + tau * d_old + chi*sq_tau
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N += 1.
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E += e_loc(a,r_new)
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r_old = r_new
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return E/N
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a = 0.9
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nmax = 100000
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tau = 0.2
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X = [MonteCarlo(a,tau,nmax) for i in range(30)]
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E, deltaE = ave_error(X)
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print(f"E = {E} +/- {deltaE}")
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