mirror of
https://github.com/vale981/master-thesis
synced 2025-03-17 08:26:40 -04:00
629 lines
20 KiB
Org Mode
629 lines
20 KiB
Org Mode
#+PROPERTY: header-args :session /ssh:l:/home/hiro/.local/share/jupyter/runtime/kernel-db283c80-f40c-4ded-8b78-99c9efe3be3c.json :kernel python :pandoc t :async yes
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* Setup
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** Jupyter
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#+begin_src jupyter-python
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%load_ext autoreload
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%autoreload 2
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%load_ext jupyter_spaces
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#+end_src
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#+RESULTS:
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: The autoreload extension is already loaded. To reload it, use:
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: %reload_ext autoreload
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** Matplotlib
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#+begin_src jupyter-python
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import matplotlib
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import matplotlib.pyplot as plt
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#matplotlib.use("TkCairo", force=True)
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%gui tk
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%matplotlib inline
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plt.style.use('ggplot')
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#+end_src
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#+RESULTS:
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** Richard (old) HOPS
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#+begin_src jupyter-python
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import hierarchyLib
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import hierarchyData
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import numpy as np
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from stocproc.stocproc import StocProc_FFT
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import bcf
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from dataclasses import dataclass, field
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import scipy
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import scipy.misc
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import scipy.signal
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import pickle
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from scipy.special import gamma as gamma_func
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from scipy.optimize import curve_fit
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#+end_src
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#+RESULTS:
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** Auxiliary Definitions
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#+begin_src jupyter-python
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σ1 = np.matrix([[0,1],[1,0]])
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σ2 = np.matrix([[0,-1j],[1j,0]])
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σ3 = np.matrix([[1,0],[0,-1]])
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#+end_src
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#+RESULTS:
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* Model Setup
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Basic parameters.
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#+begin_src jupyter-python
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class params:
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T = 2
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t_max = 15
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t_steps = int(t_max * 1/.05)
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k_max = 10
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N = 4000
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seed = 100
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dim = 2
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H_s = σ3 + np.eye(dim)
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L = σ2 #1 / 2 * (σ1 - 1j * σ2)
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ψ_0 = np.array([0, 1])
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s = 1
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num_exp_t = 4
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wc = 1
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with open("good_fit_data_abs_brute_force", "rb") as f:
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good_fit_data_abs = pickle.load(f)
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alpha = 0.8
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# _, g_tilde, w_tilde = good_fit_data_abs[(numExpFit, s)]
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# g_tilde = np.array(g_tilde)
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# w_tilde = np.array(w_tilde)
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# g = 1 / np.pi * gamma_func(s + 1) * wc ** (s + 1) * np.asarray(g_tilde)
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# w = wc * np.asarray(w_tilde)
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bcf_scale = np.pi / 2 * alpha * wc ** (1 - s)
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#+end_src
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#+RESULTS:
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** BCF and Thermal BCF
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#+begin_src jupyter-python
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@dataclass
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class CauchyBCF:
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δ: float
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wc: float
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def I(self, ω):
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return np.sqrt(self.δ) / (self.δ + (ω - self.wc) ** 2 / self.δ)
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def __call__(self, τ):
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return np.sqrt(self.δ) * np.exp(-1j * self.wc * τ - np.abs(τ) * self.δ)
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def __bfkey__(self):
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return self.δ, self.wc
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α = bcf.OBCF(s=params.s, eta=1, gamma=params.wc)
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I = bcf.OSD(s=params.s, eta=1, gamma=params.wc)
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#+end_src
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#+RESULTS:
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*** Fit
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We now fit a sum of exponentials against the BCF.
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#+begin_src jupyter-python
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from lmfit import minimize, Parameters
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def α_apprx(τ, g, w):
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return np.sum(
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g[np.newaxis, :] * np.exp(-w[np.newaxis, :] * (τ[:, np.newaxis])), axis=1
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)
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def _fit():
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def residual(fit_params, x, data):
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resid = 0
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w = np.array([fit_params[f"w{i}"] for i in range(params.num_exp_t)]) + 1j * np.array(
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[fit_params[f"wi{i}"] for i in range(params.num_exp_t)]
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)
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g = np.array([fit_params[f"g{i}"] for i in range(params.num_exp_t)]) + 1j * np.array(
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[fit_params[f"gi{i}"] for i in range(params.num_exp_t)]
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)
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resid = data - α_apprx(x, g, w)
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return resid.view(float)
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fit_params = Parameters()
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for i in range(params.num_exp_t):
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fit_params.add(f"g{i}", value=.1)
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fit_params.add(f"gi{i}", value=.1)
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fit_params.add(f"w{i}", value=.1)
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fit_params.add(f"wi{i}", value=.1)
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ts = np.linspace(0, params.t_max, 1000)
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out = minimize(residual, fit_params, args=(ts, α(ts)))
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w = np.array([out.params[f"w{i}"] for i in range(params.num_exp_t)]) + 1j * np.array(
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[out.params[f"wi{i}"] for i in range(params.num_exp_t)]
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)
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g = np.array([out.params[f"g{i}"] for i in range(params.num_exp_t)]) + 1j * np.array(
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[out.params[f"gi{i}"] for i in range(params.num_exp_t)]
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)
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return w, g
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w, g = _fit()
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#+end_src
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#+RESULTS:
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*** Plot
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Let's look a the result.
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#+begin_src jupyter-python
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class bcfplt:
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t = np.linspace(0, params.t_max, 1000)
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ω = np.linspace(params.wc - 10, params.wc + 10, 1000)
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fig, axs = plt.subplots(2)
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axs[0].plot(t, np.real(α(t)))
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axs[0].plot(t, np.imag(α(t)))
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axs[0].plot(t, np.real(α_apprx(t, g, w)))
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axs[0].plot(t, np.imag(α_apprx(t, g, w)))
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axs[1].plot(ω, I(ω).real)
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axs[1].plot(ω, I(ω).imag)
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#+end_src
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#+RESULTS:
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[[file:./.ob-jupyter/9f05a1fbf06920c271f0667db664ce2972415437.png]]
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Seems ok for now.
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** Hops setup
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#+begin_src jupyter-python
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HierachyParam = hierarchyData.HiP(
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k_max=params.k_max,
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# g_scale=None,
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# sample_method='random',
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seed=params.seed,
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nonlinear=True,
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normalized=False,
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# terminator=False,
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result_type=hierarchyData.RESULT_TYPE_ALL,
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# accum_only=None,
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# rand_skip=None
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)
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#+end_src
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#+RESULTS:
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Integration.
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#+begin_src jupyter-python
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IntegrationParam = hierarchyData.IntP(
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t_max=params.t_max,
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t_steps=params.t_steps,
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# integrator_name='zvode',
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# atol=1e-8,
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# rtol=1e-8,
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# order=5,
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# nsteps=5000,
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# method='bdf',
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# t_steps_skip=1
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)
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#+end_src
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#+RESULTS:
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And now the system.
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#+begin_src jupyter-python
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SystemParam = hierarchyData.SysP(
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H_sys=params.H_s,
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L=params.L,
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psi0=params.ψ_0, # excited qubit
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g=np.array(g),
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w=np.array(w),
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H_dynamic=[],
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bcf_scale=params.bcf_scale, # some coupling strength (scaling of the fit parameters 'g_i')
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gw_hash=None, # this is used to load g,w from some database
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len_gw=len(g),
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)
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#+end_src
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#+RESULTS:
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The quantum noise.
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#+begin_src jupyter-python
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Eta = StocProc_FFT(
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I,
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params.t_max,
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α,
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negative_frequencies=False,
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seed=params.seed,
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intgr_tol=1e-3,
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intpl_tol=1e-3,
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scale=params.bcf_scale,
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)
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#+end_src
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#+RESULTS:
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#+begin_example
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stocproc.stocproc - INFO - non neg freq only
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stocproc.method_ft - INFO - get_dt_for_accurate_interpolation, please wait ...
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stocproc.method_ft - INFO - acc interp N 33 dt 9.38e-01 -> diff 2.83e-01
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stocproc.method_ft - INFO - acc interp N 65 dt 4.69e-01 -> diff 8.53e-02
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stocproc.method_ft - INFO - acc interp N 129 dt 2.34e-01 -> diff 1.76e-02
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stocproc.method_ft - INFO - acc interp N 257 dt 1.17e-01 -> diff 3.92e-03
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stocproc.method_ft - INFO - acc interp N 513 dt 5.86e-02 -> diff 9.52e-04
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stocproc.method_ft - INFO - requires dt < 5.859e-02
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stocproc.method_ft - INFO - get_N_a_b_for_accurate_fourier_integral, please wait ...
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stocproc.method_ft - INFO - J_w_min:1.00e-02 N 32 yields: interval [0.00e+00,6.47e+00] diff 9.83e-03
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stocproc.method_ft - INFO - J_w_min:1.00e-03 N 32 yields: interval [0.00e+00,9.12e+00] diff 8.12e-03
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stocproc.method_ft - INFO - J_w_min:1.00e-02 N 64 yields: interval [0.00e+00,6.47e+00] diff 1.11e-02
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stocproc.method_ft - INFO - increasing N while shrinking the interval does lower the error -> try next level
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stocproc.method_ft - INFO - J_w_min:1.00e-04 N 32 yields: interval [0.00e+00,1.17e+01] diff 1.32e-02
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stocproc.method_ft - INFO - J_w_min:1.00e-03 N 64 yields: interval [0.00e+00,9.12e+00] diff 1.22e-03
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stocproc.method_ft - INFO - J_w_min:1.00e-02 N 128 yields: interval [0.00e+00,6.47e+00] diff 1.14e-02
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stocproc.method_ft - INFO - increasing N while shrinking the interval does lower the error -> try next level
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stocproc.method_ft - INFO - J_w_min:1.00e-05 N 32 yields: interval [0.00e+00,1.42e+01] diff 1.94e-02
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stocproc.method_ft - INFO - J_w_min:1.00e-04 N 64 yields: interval [0.00e+00,1.17e+01] diff 2.57e-03
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stocproc.method_ft - INFO - J_w_min:1.00e-03 N 128 yields: interval [0.00e+00,9.12e+00] diff 8.98e-04
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stocproc.method_ft - INFO - return, cause tol of 0.001 was reached
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stocproc.method_ft - INFO - requires dx < 7.123e-02
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stocproc.stocproc - INFO - Fourier Integral Boundaries: [0.000e+00, 1.251e+02]
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stocproc.stocproc - INFO - Number of Nodes : 2048
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stocproc.stocproc - INFO - yields dx : 6.107e-02
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stocproc.stocproc - INFO - yields dt : 5.023e-02
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stocproc.stocproc - INFO - yields t_max : 1.028e+02
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#+end_example
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The sample trajectories are smooth.
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#+begin_src jupyter-python
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%%space plot
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ts = np.linspace(0, params.t_max, 1000)
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Eta.new_process()
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plt.plot(ts, Eta(ts).real)
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#+end_src
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#+RESULTS:
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:RESULTS:
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| <matplotlib.lines.Line2D | at | 0x7f67b7512d30> |
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[[file:./.ob-jupyter/10385a90753d7683d5740b88622cc4274de9c86a.png]]
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:END:
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And now the thermal noise.
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#+begin_src jupyter-python
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EtaTherm = StocProc_FFT(
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spectral_density=bcf.OFTDens(s=params.s, eta=1, gamma=params.wc, beta=1 / params.T),
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t_max=params.t_max,
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alpha=bcf.OFTCorr(s=params.s, eta=1, gamma=params.wc, beta=1 / params.T),
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intgr_tol=1e-3,
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intpl_tol=1e-3,
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seed=params.seed,
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negative_frequencies=False,
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scale=params.bcf_scale,
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)
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#+end_src
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#+RESULTS:
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#+begin_example
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stocproc.stocproc - INFO - non neg freq only
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stocproc.method_ft - INFO - get_dt_for_accurate_interpolation, please wait ...
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stocproc.method_ft - INFO - acc interp N 33 dt 9.38e-01 -> diff 6.53e-02
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stocproc.method_ft - INFO - acc interp N 65 dt 4.69e-01 -> diff 1.47e-02
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stocproc.method_ft - INFO - acc interp N 129 dt 2.34e-01 -> diff 3.20e-03
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stocproc.method_ft - INFO - acc interp N 257 dt 1.17e-01 -> diff 7.67e-04
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stocproc.method_ft - INFO - requires dt < 1.172e-01
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stocproc.method_ft - INFO - get_N_a_b_for_accurate_fourier_integral, please wait ...
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stocproc.method_ft - INFO - J_w_min:1.00e-02 N 32 yields: interval [0.00e+00,4.10e+00] diff 2.00e-02
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stocproc.method_ft - INFO - J_w_min:1.00e-03 N 32 yields: interval [0.00e+00,5.82e+00] diff 4.75e-02
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stocproc.method_ft - INFO - J_w_min:1.00e-02 N 64 yields: interval [0.00e+00,4.10e+00] diff 7.88e-03
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stocproc.method_ft - INFO - J_w_min:1.00e-04 N 32 yields: interval [0.00e+00,7.50e+00] diff 8.51e-02
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stocproc.method_ft - INFO - J_w_min:1.00e-03 N 64 yields: interval [0.00e+00,5.82e+00] diff 1.01e-02
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stocproc.method_ft - INFO - J_w_min:1.00e-02 N 128 yields: interval [0.00e+00,4.10e+00] diff 7.56e-03
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stocproc.method_ft - INFO - J_w_min:1.00e-05 N 32 yields: interval [0.00e+00,9.16e+00] diff 1.04e-01
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stocproc.method_ft - INFO - J_w_min:1.00e-04 N 64 yields: interval [0.00e+00,7.50e+00] diff 1.78e-02
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stocproc.method_ft - INFO - J_w_min:1.00e-03 N 128 yields: interval [0.00e+00,5.82e+00] diff 2.38e-03
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stocproc.method_ft - INFO - J_w_min:1.00e-02 N 256 yields: interval [0.00e+00,4.10e+00] diff 7.48e-03
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stocproc.method_ft - INFO - increasing N while shrinking the interval does lower the error -> try next level
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stocproc.method_ft - INFO - J_w_min:1.00e-06 N 32 yields: interval [0.00e+00,1.08e+01] diff 1.22e-01
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stocproc.method_ft - INFO - J_w_min:1.00e-05 N 64 yields: interval [0.00e+00,9.16e+00] diff 2.81e-02
|
||
stocproc.method_ft - INFO - J_w_min:1.00e-04 N 128 yields: interval [0.00e+00,7.50e+00] diff 4.17e-03
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||
stocproc.method_ft - INFO - J_w_min:1.00e-03 N 256 yields: interval [0.00e+00,5.82e+00] diff 7.86e-04
|
||
stocproc.method_ft - INFO - return, cause tol of 0.001 was reached
|
||
stocproc.method_ft - INFO - requires dx < 2.272e-02
|
||
stocproc.stocproc - INFO - Fourier Integral Boundaries: [0.000e+00, 7.064e+01]
|
||
stocproc.stocproc - INFO - Number of Nodes : 4096
|
||
stocproc.stocproc - INFO - yields dx : 1.725e-02
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||
stocproc.stocproc - INFO - yields dt : 8.895e-02
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||
stocproc.stocproc - INFO - yields t_max : 3.642e+02
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#+end_example
|
||
|
||
The sample trajectories are smooth too.
|
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#+begin_src jupyter-python
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%%space plot
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ts = np.linspace(0, params.t_max, 1000)
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EtaTherm.new_process()
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plt.plot(ts, EtaTherm(ts).real)
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#+end_src
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||
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||
#+RESULTS:
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||
:RESULTS:
|
||
| <matplotlib.lines.Line2D | at | 0x7f67f93e6100> |
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||
[[file:./.ob-jupyter/6d082076097694cb45a42d4608ed411592bfcd3e.png]]
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||
:END:
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||
|
||
* Actual Hops
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||
Generate the key for binary caching.
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||
#+begin_src jupyter-python
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||
hi_key = hierarchyData.HIMetaKey_type(
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HiP=HierachyParam,
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IntP=IntegrationParam,
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SysP=SystemParam,
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Eta=Eta,
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EtaTherm=EtaTherm,
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)
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#+end_src
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||
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#+RESULTS:
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||
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Initialize Hierarchy.
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||
#+begin_src jupyter-python
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||
myHierarchy = hierarchyLib.HI(hi_key, number_of_samples=params.N, desc="calculate the heat flow")
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||
#+end_src
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||
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||
#+RESULTS:
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||
: init Hi class, use 2002 equation
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||
: /home/hiro/Documents/Projects/UNI/master/masterarb/python/richard_hops/hierarchyLib.py:1058: UserWarning: sum_k_max is not implemented! DO SO BEFORE NEXT USAGE (use simplex).HierarchyParametersType does not yet know about sum_k_max
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||
: warnings.warn(
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||
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||
Run the integration.
|
||
#+begin_src jupyter-python
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||
myHierarchy.integrate_simple(data_path="data", data_name="energy_flow_therm_new_again_less.data")
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||
#+end_src
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||
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||
#+RESULTS:
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||
: [31msamples :[39m[92m[1m[[22m[39m[1mTET[22m 5.48ms [0.0c/s] [1mTTG[22m -- 0.0% [1mETA[22m -- [1mORT[22m --[1m[92m][0m
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||
: [31mintegration :[39m[92m[1m[[22m[39m[1mTET[22m 5.28ms [0.0c/s] [1mTTG[22m -- 0.0% [1mETA[22m -- [1mORT[22m --[1m[92m][0m
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||
: [2A[8m[0m[31msamples :[39m[92m[1m[[22m[1mTET[22m-2.01s---[866.5c/s]-[1mTTG[22m-3.00s------------->[39m 43.5% [1mETA[22m 20211103_10:49:30 [1mORT[22m 5.01s[1m[92m][0m
|
||
: [31mintegration :[39m[92m[1m[[22m[39m[1mTET[22m 1.71ms [0.0c/s] [1mTTG[22m -- 0.0% [1mETA[22m -- [1mORT[22m --[1m[92m][0m
|
||
: [2A[8m[0m[31msamples :[39m[92m[1m[[22m[1mTET[22m-4.00s---[999.5c/s]-[1mTTG[22m-0.00ms------------------100%-------------------[1mETA[22m-20211103_10:49:29-[1mORT[22m-4.00s[39m[1m[92m][0m
|
||
: [31mintegration :[39m[92m[1m[[22m[39m[1mTET[22m 3.71ms [0.0c/s] [1mTTG[22m -- 0.0% [1mETA[22m -- [1mORT[22m --[1m[92m][0m
|
||
: [0A[8m[0m
|
||
|
||
Get the samples.
|
||
#+BEGIN_SRC jupyter-python
|
||
# to access the data the 'hi_key' is used to find the data in the hdf5 file
|
||
class int_result:
|
||
with hierarchyData.HIMetaData(
|
||
hid_name="energy_flow_therm_new_again_less.data", hid_path="data"
|
||
) as metaData:
|
||
with metaData.get_HIData(hi_key, read_only=True) as data:
|
||
smp = data.get_samples()
|
||
print("{} samples found in database".format(smp))
|
||
τ = data.get_time()
|
||
rho_τ = data.get_rho_t()
|
||
#s_proc = np.array(data.stoc_proc)
|
||
#states = np.array(data.aux_states).copy()
|
||
ψ_1 = np.array(data.aux_states[:, :, 0 : params.num_exp_t * params.dim])
|
||
ψ_0 = np.array(data.stoc_traj)
|
||
y = np.array(data.y)
|
||
#η = np.array(data.stoc_proc)
|
||
temp_y = np.array(data.temp_y)
|
||
#+end_src
|
||
|
||
#+RESULTS:
|
||
: 4000 samples found in database
|
||
|
||
Calculate energy.
|
||
#+begin_src jupyter-python
|
||
%matplotlib inline
|
||
energy = np.einsum("ijk,kj", int_result.rho_τ,params.H_s).real
|
||
plt.plot(int_result.τ, energy)
|
||
#+end_src
|
||
|
||
#+RESULTS:
|
||
:RESULTS:
|
||
| <matplotlib.lines.Line2D | at | 0x7f67f91e7730> |
|
||
[[file:./.ob-jupyter/8e6031964f047808246e7cc787bff3a3133b953e.png]]
|
||
:END:
|
||
|
||
* Energy Flow
|
||
:PROPERTIES:
|
||
:ID: 9ce93da8-d323-40ec-96a2-42ba184dc963
|
||
:END:
|
||
#+begin_src jupyter-python
|
||
int_result.ψ_1.shape
|
||
#+end_src
|
||
|
||
#+RESULTS:
|
||
| 5120 | 300 | 8 |
|
||
|
||
Let's look at the norm.
|
||
#+begin_src jupyter-python
|
||
plt.plot(int_result.τ, (int_result.ψ_0[0].conj() * int_result.ψ_0[0]).sum(axis=1).real)
|
||
#+end_src
|
||
|
||
#+RESULTS:
|
||
:RESULTS:
|
||
| <matplotlib.lines.Line2D | at | 0x7f67f91599a0> |
|
||
[[file:./.ob-jupyter/46197d5b229e031e905aea1a0f5b517e977f711d.png]]
|
||
:END:
|
||
|
||
And try to calculate the energy flow.
|
||
#+begin_src jupyter-python
|
||
def flow_for_traj(ψ_0, ψ_1, temp_y):
|
||
a = np.array((params.L @ ψ_0.T).T)
|
||
EtaTherm.new_process(temp_y)
|
||
η_dot = scipy.misc.derivative(EtaTherm, int_result.τ, dx=1e-3, order=5)
|
||
|
||
ψ_1 = (-w * g * params.bcf_scale)[None, :, None] * ψ_1.reshape(
|
||
params.t_steps, params.num_exp_t, params.dim
|
||
)
|
||
|
||
# return np.array(np.sum(ψ_0.conj() * ψ_0, axis=1)).flatten().real
|
||
j_0 = np.array(
|
||
2
|
||
,* (
|
||
1j
|
||
,* (np.sum(a.conj()[:, None, :] * ψ_1, axis=(1, 2)))
|
||
/ np.sum(ψ_0.conj() * ψ_0, axis=1)
|
||
).real
|
||
).flatten()
|
||
|
||
j_therm = -np.array(
|
||
2
|
||
,* (
|
||
(np.sum(a.conj() * ψ_0, axis=1)) * η_dot
|
||
/ np.sum(ψ_0.conj() * ψ_0, axis=1)
|
||
).real
|
||
).flatten()
|
||
|
||
return j_0, j_therm
|
||
#+end_src
|
||
|
||
#+RESULTS:
|
||
|
||
Now we calculate the average over all trajectories.
|
||
#+begin_src jupyter-python
|
||
class Flow:
|
||
j_0 = np.zeros_like(int_result.τ)
|
||
j_therm = np.zeros_like(int_result.τ)
|
||
for i in range(0, params.N):
|
||
dj, dj_therm = flow_for_traj(
|
||
int_result.ψ_0[i], int_result.ψ_1[i], int_result.temp_y[i]
|
||
)
|
||
|
||
j_0 += dj
|
||
j_therm += dj_therm
|
||
j_0 /= params.N
|
||
j_therm /= params.N
|
||
j = j_0 + j_therm
|
||
|
||
#+end_src
|
||
|
||
#+RESULTS:
|
||
|
||
And plot it :).
|
||
#+begin_src jupyter-python
|
||
%matplotlib inline
|
||
plt.plot(int_result.τ, Flow.j_0, label=r"$j_0$")
|
||
plt.plot(int_result.τ, Flow.j_therm, label=r"$j_\mathrm{therm}$")
|
||
plt.plot(int_result.τ, Flow.j, label=r"$j$")
|
||
plt.legend()
|
||
#+end_src
|
||
|
||
#+RESULTS:
|
||
:RESULTS:
|
||
: <matplotlib.legend.Legend at 0x7f67f92338b0>
|
||
[[file:./.ob-jupyter/8ee454c5d5d79c6ebc664d4e6c9fa86ddd22d76b.png]]
|
||
:END:
|
||
|
||
Let's calculate the integrated energy.
|
||
#+begin_src jupyter-python
|
||
E_t = np.array(
|
||
[0]
|
||
+ [
|
||
scipy.integrate.simpson(Flow.j[0:n], int_result.τ[0:n])
|
||
for n in range(1, len(int_result.τ))
|
||
]
|
||
)
|
||
E_t[-1]
|
||
#+end_src
|
||
|
||
#+RESULTS:
|
||
: 0.2055296100424721
|
||
|
||
With this we can retrieve the energy of the interaction Hamiltonian.
|
||
#+begin_src jupyter-python
|
||
E_I = - energy - E_t
|
||
#+end_src
|
||
|
||
#+RESULTS:
|
||
|
||
#+begin_src jupyter-python
|
||
%%space plot
|
||
#plt.plot(τ, j, label="$J$", linestyle='--')
|
||
plt.plot(int_result.τ, E_t, label=r"$\langle H_{\mathrm{B}}\rangle$")
|
||
plt.plot(int_result.τ, E_I, label=r"$\langle H_{\mathrm{I}}\rangle$")
|
||
plt.plot(int_result.τ, energy, label=r"$\langle H_{\mathrm{S}}\rangle$")
|
||
|
||
plt.xlabel("τ")
|
||
plt.legend()
|
||
plt.show()
|
||
#+end_src
|
||
|
||
#+RESULTS:
|
||
:RESULTS:
|
||
| <matplotlib.lines.Line2D | at | 0x7f67f3ca3f70> |
|
||
| <matplotlib.lines.Line2D | at | 0x7f67f3cbc3d0> |
|
||
| <matplotlib.lines.Line2D | at | 0x7f67f3cbc790> |
|
||
: Text(0.5, 0, 'τ')
|
||
: <matplotlib.legend.Legend at 0x7f67f3cbca90>
|
||
[[file:./.ob-jupyter/4667ed4d0c34454379b42baac0449563ea26df93.png]]
|
||
:END:
|
||
|
||
* System + Interaction Energy
|
||
#+begin_src jupyter-python
|
||
def h_si_for_traj(ψ_0, ψ_1, temp_y):
|
||
a = np.array((params.L @ ψ_0.T).T)
|
||
b = np.array((params.H_s @ ψ_0.T).T)
|
||
ψ_1 = (g*params.bcf_scale)[None, :, None] * ψ_1.reshape(
|
||
params.t_steps, params.num_exp_t, params.dim
|
||
)
|
||
EtaTherm.new_process(temp_y)
|
||
|
||
E_i = np.array(
|
||
2
|
||
,* (
|
||
-1j
|
||
,* np.sum(
|
||
a.conj()[:, None, :]
|
||
,* ψ_1,
|
||
axis=(1, 2),
|
||
)
|
||
).real
|
||
).flatten()
|
||
|
||
E_i += np.array(
|
||
2
|
||
,* (
|
||
EtaTherm(int_result.τ)
|
||
,* np.sum(
|
||
a.conj()
|
||
,* ψ_0,
|
||
axis=1,
|
||
)
|
||
).real
|
||
).flatten()
|
||
|
||
E_s = np.array(np.sum(b.conj() * ψ_0, axis=1)).flatten().real
|
||
|
||
return (E_i + E_s) / np.sum(ψ_0.conj() * ψ_0, axis=1).real
|
||
#+end_src
|
||
|
||
#+RESULTS:
|
||
|
||
#+begin_src jupyter-python
|
||
e_si = np.zeros_like(int_result.τ)
|
||
for i in range(0, params.N):
|
||
e_si += h_si_for_traj(int_result.ψ_0[i], int_result.ψ_1[i], int_result.temp_y[i])
|
||
e_si /= params.N
|
||
#+end_src
|
||
|
||
#+RESULTS:
|
||
|
||
Doesn't work out.
|
||
#+begin_src jupyter-python
|
||
plt.plot(int_result.τ, e_si -energy, label=r"direct")
|
||
plt.plot(int_result.τ, E_I)
|
||
plt.legend()
|
||
#+end_src
|
||
|
||
|
||
#+RESULTS:
|
||
:RESULTS:
|
||
: <matplotlib.legend.Legend at 0x7f67d675eb50>
|
||
[[file:./.ob-jupyter/c8c68dc3ee919f1306e4df7b284c3de1d8d24e8e.png]]
|
||
:END:
|