master-thesis/python/graveyard/richard_hops/energy_flow.org

550 lines
18 KiB
Org Mode
Raw Blame History

This file contains invisible Unicode characters

This file contains invisible Unicode characters that are indistinguishable to humans but may be processed differently by a computer. If you think that this is intentional, you can safely ignore this warning. Use the Escape button to reveal them.

This file contains Unicode characters that might be confused with other characters. If you think that this is intentional, you can safely ignore this warning. Use the Escape button to reveal them.

#+PROPERTY: header-args :session rich_hops_eflow :kernel python :pandoc t :async yes
* Setup
** Jupyter
#+begin_src jupyter-python
%load_ext autoreload
%autoreload 2
%load_ext jupyter_spaces
#+end_src
#+RESULTS:
** Matplotlib
#+begin_src jupyter-python
import matplotlib
import matplotlib.pyplot as plt
#matplotlib.use("TkCairo", force=True)
%gui tk
%matplotlib inline
plt.style.use('ggplot')
#+end_src
#+RESULTS:
** Richard (old) HOPS
#+begin_src jupyter-python
import hierarchyLib
import hierarchyData
import numpy as np
from stocproc.stocproc import StocProc_FFT
import bcf
from dataclasses import dataclass
import scipy
import scipy.misc
import scipy.signal
#+end_src
#+RESULTS:
** Auxiliary Definitions
#+begin_src jupyter-python
σ1 = np.matrix([[0,1],[1,0]])
σ2 = np.matrix([[0,-1j],[1j,0]])
σ3 = np.matrix([[1,0],[0,-1]])
#+end_src
#+RESULTS:
* Model Setup
Basic parameters.
#+begin_src jupyter-python
γ = 5 # coupling ratio
ω_c = 1 # center of spect. dens
δ = 1 # breadth BCF
t_max = 10
t_steps = 500
k_max = 2
seed = 100
H_s = σ3 + np.eye(2)
L = 1 / 2 * (σ1 - 1j * σ2) * γ
ψ_0 = np.array([1, 0])
W = ω_c * 1j + δ # exponent BCF
N = 100
#+end_src
#+RESULTS:
** BCF
#+begin_src jupyter-python
@dataclass
class CauchyBCF:
δ: float
ω_c: float
def I(self, ω):
return np.sqrt(self.δ) / (self.δ + (ω - self.ω_c) ** 2 / self.δ)
def __call__(self, τ):
return np.sqrt(self.δ) * np.exp(-1j * self.ω_c * τ - np.abs(τ) * self.δ)
def __bfkey__(self):
return self.δ, self.ω_c
α = CauchyBCF(δ, ω_c)
#+end_src
#+RESULTS:
*** Plot
#+begin_src jupyter-python
%%space plot
t = np.linspace(0, t_max, 1000)
ω = np.linspace(ω_c - 10, ω_c + 10, 1000)
fig, axs = plt.subplots(2)
axs[0].plot(t, np.real(α(t)))
axs[0].plot(t, np.imag(α(t)))
axs[1].plot(ω, α.I(ω))
#+end_src
#+RESULTS:
:RESULTS:
| <matplotlib.lines.Line2D | at | 0x7f32d17675e0> |
| <matplotlib.lines.Line2D | at | 0x7f32d1767880> |
| <matplotlib.lines.Line2D | at | 0x7f32d1767df0> |
[[file:./.ob-jupyter/252b4713c37e957d1909f4354fd107d3803ecda2.png]]
:END:
** Hops setup
#+begin_src jupyter-python
HierachyParam = hierarchyData.HiP(
k_max=k_max,
# g_scale=None,
# sample_method='random',
seed=seed,
nonlinear=False,
# normalized=False,
# terminator=False,
result_type=hierarchyData.RESULT_TYPE_ALL,
# accum_only=None,
# rand_skip=None
)
#+end_src
#+RESULTS:
Integration.
#+begin_src jupyter-python
IntegrationParam = hierarchyData.IntP(
t_max=t_max,
t_steps=t_steps,
# integrator_name='zvode',
# atol=1e-8,
# rtol=1e-8,
# order=5,
# nsteps=5000,
# method='bdf',
# t_steps_skip=1
)
#+end_src
#+RESULTS:
And now the system.
#+begin_src jupyter-python
SystemParam = hierarchyData.SysP(
H_sys=H_s,
L=L,
psi0=ψ_0, # excited qubit
g=np.array([np.sqrt(δ)]),
w=np.array([W]),
H_dynamic=[],
bcf_scale=1, # some coupling strength (scaling of the fit parameters 'g_i')
gw_hash=None, # this is used to load g,w from some database
len_gw=1,
)
#+end_src
#+RESULTS:
The quantum noise.
#+begin_src jupyter-python
Eta = StocProc_FFT(
α.I,
t_max,
α,
negative_frequencies=True,
seed=seed,
intgr_tol=1e-2,
intpl_tol=1e-2,
scale=1,
)
#+end_src
#+RESULTS:
#+begin_example
stocproc.stocproc - INFO - use neg freq
stocproc.method_ft - INFO - get_dt_for_accurate_interpolation, please wait ...
stocproc.method_ft - INFO - acc interp N 33 dt 2.88e-01 -> diff 7.57e-03
stocproc.method_ft - INFO - requires dt < 2.878e-01
stocproc.method_ft - INFO - get_N_a_b_for_accurate_fourier_integral, please wait ...
stocproc.method_ft - INFO - J_w_min:1.00e-02 N 32 yields: interval [-8.95e+00,1.09e+01] diff 2.01e-01
stocproc.method_ft - INFO - J_w_min:1.00e-03 N 32 yields: interval [-3.06e+01,3.26e+01] diff 6.40e-01
stocproc.method_ft - INFO - J_w_min:1.00e-02 N 64 yields: interval [-8.95e+00,1.09e+01] diff 2.00e-01
stocproc.method_ft - INFO - J_w_min:1.00e-04 N 32 yields: interval [-9.90e+01,1.01e+02] diff 1.90e+00
stocproc.method_ft - INFO - J_w_min:1.00e-03 N 64 yields: interval [-3.06e+01,3.26e+01] diff 1.31e-01
stocproc.method_ft - INFO - J_w_min:1.00e-02 N 128 yields: interval [-8.95e+00,1.09e+01] diff 2.00e-01
stocproc.method_ft - INFO - increasing N while shrinking the interval does lower the error -> try next level
stocproc.method_ft - INFO - J_w_min:1.00e-05 N 32 yields: interval [-3.15e+02,3.17e+02] diff 2.68e+00
stocproc.method_ft - INFO - J_w_min:1.00e-04 N 64 yields: interval [-9.90e+01,1.01e+02] diff 1.15e+00
stocproc.method_ft - INFO - J_w_min:1.00e-03 N 128 yields: interval [-3.06e+01,3.26e+01] diff 6.33e-02
stocproc.method_ft - INFO - J_w_min:1.00e-02 N 256 yields: interval [-8.95e+00,1.09e+01] diff 2.00e-01
stocproc.method_ft - INFO - increasing N while shrinking the interval does lower the error -> try next level
stocproc.method_ft - INFO - J_w_min:1.00e-06 N 32 yields: interval [-9.99e+02,1.00e+03] diff 2.99e+00
stocproc.method_ft - INFO - J_w_min:1.00e-05 N 64 yields: interval [-3.15e+02,3.17e+02] diff 2.29e+00
stocproc.method_ft - INFO - J_w_min:1.00e-04 N 128 yields: interval [-9.90e+01,1.01e+02] diff 4.21e-01
stocproc.method_ft - INFO - J_w_min:1.00e-03 N 256 yields: interval [-3.06e+01,3.26e+01] diff 6.33e-02
stocproc.method_ft - INFO - J_w_min:1.00e-02 N 512 yields: interval [-8.95e+00,1.09e+01] diff 2.00e-01
stocproc.method_ft - INFO - increasing N while shrinking the interval does lower the error -> try next level
stocproc.method_ft - INFO - J_w_min:1.00e-07 N 32 yields: interval [-3.16e+03,3.16e+03] diff 3.09e+00
stocproc.method_ft - INFO - J_w_min:1.00e-06 N 64 yields: interval [-9.99e+02,1.00e+03] diff 2.84e+00
stocproc.method_ft - INFO - J_w_min:1.00e-05 N 128 yields: interval [-3.15e+02,3.17e+02] diff 1.66e+00
stocproc.method_ft - INFO - J_w_min:1.00e-04 N 256 yields: interval [-9.90e+01,1.01e+02] diff 5.63e-02
stocproc.method_ft - INFO - J_w_min:1.00e-03 N 512 yields: interval [-3.06e+01,3.26e+01] diff 6.33e-02
stocproc.method_ft - INFO - increasing N while shrinking the interval does lower the error -> try next level
stocproc.method_ft - INFO - J_w_min:1.00e-08 N 32 yields: interval [-1.00e+04,1.00e+04] diff 3.13e+00
stocproc.method_ft - INFO - J_w_min:1.00e-07 N 64 yields: interval [-3.16e+03,3.16e+03] diff 3.04e+00
stocproc.method_ft - INFO - J_w_min:1.00e-06 N 128 yields: interval [-9.99e+02,1.00e+03] diff 2.57e+00
stocproc.method_ft - INFO - J_w_min:1.00e-05 N 256 yields: interval [-3.15e+02,3.17e+02] diff 8.81e-01
stocproc.method_ft - INFO - J_w_min:1.00e-04 N 512 yields: interval [-9.90e+01,1.01e+02] diff 2.00e-02
stocproc.method_ft - INFO - J_w_min:1.00e-03 N 1024 yields: interval [-3.06e+01,3.26e+01] diff 6.33e-02
stocproc.method_ft - INFO - increasing N while shrinking the interval does lower the error -> try next level
stocproc.method_ft - INFO - J_w_min:1.00e-09 N 32 yields: interval [-3.16e+04,3.16e+04] diff 3.14e+00
stocproc.method_ft - INFO - J_w_min:1.00e-08 N 64 yields: interval [-1.00e+04,1.00e+04] diff 3.11e+00
stocproc.method_ft - INFO - J_w_min:1.00e-07 N 128 yields: interval [-3.16e+03,3.16e+03] diff 2.95e+00
stocproc.method_ft - INFO - J_w_min:1.00e-06 N 256 yields: interval [-9.99e+02,1.00e+03] diff 2.10e+00
stocproc.method_ft - INFO - J_w_min:1.00e-05 N 512 yields: interval [-3.15e+02,3.17e+02] diff 2.47e-01
stocproc.method_ft - INFO - J_w_min:1.00e-04 N 1024 yields: interval [-9.90e+01,1.01e+02] diff 2.00e-02
stocproc.method_ft - INFO - J_w_min:1.00e-03 N 2048 yields: interval [-3.06e+01,3.26e+01] diff 6.33e-02
stocproc.method_ft - INFO - increasing N while shrinking the interval does lower the error -> try next level
stocproc.method_ft - INFO - J_w_min:1.00e-10 N 32 yields: interval [-1.00e+05,1.00e+05] diff 3.14e+00
stocproc.method_ft - INFO - J_w_min:1.00e-09 N 64 yields: interval [-3.16e+04,3.16e+04] diff 3.13e+00
stocproc.method_ft - INFO - J_w_min:1.00e-08 N 128 yields: interval [-1.00e+04,1.00e+04] diff 3.08e+00
stocproc.method_ft - INFO - J_w_min:1.00e-07 N 256 yields: interval [-3.16e+03,3.16e+03] diff 2.77e+00
stocproc.method_ft - INFO - J_w_min:1.00e-06 N 512 yields: interval [-9.99e+02,1.00e+03] diff 1.41e+00
stocproc.method_ft - INFO - J_w_min:1.00e-05 N 1024 yields: interval [-3.15e+02,3.17e+02] diff 1.94e-02
stocproc.method_ft - INFO - J_w_min:1.00e-04 N 2048 yields: interval [-9.90e+01,1.01e+02] diff 2.00e-02
stocproc.method_ft - INFO - increasing N while shrinking the interval does lower the error -> try next level
stocproc.method_ft - INFO - J_w_min:1.00e-11 N 32 yields: interval [-3.16e+05,3.16e+05] diff 3.14e+00
stocproc.method_ft - INFO - J_w_min:1.00e-10 N 64 yields: interval [-1.00e+05,1.00e+05] diff 3.14e+00
stocproc.method_ft - INFO - J_w_min:1.00e-09 N 128 yields: interval [-3.16e+04,3.16e+04] diff 3.12e+00
stocproc.method_ft - INFO - J_w_min:1.00e-08 N 256 yields: interval [-1.00e+04,1.00e+04] diff 3.02e+00
stocproc.method_ft - INFO - J_w_min:1.00e-07 N 512 yields: interval [-3.16e+03,3.16e+03] diff 2.44e+00
stocproc.method_ft - INFO - J_w_min:1.00e-06 N 1024 yields: interval [-9.99e+02,1.00e+03] diff 6.29e-01
stocproc.method_ft - INFO - J_w_min:1.00e-05 N 2048 yields: interval [-3.15e+02,3.17e+02] diff 6.32e-03
stocproc.method_ft - INFO - return, cause tol of 0.01 was reached
stocproc.method_ft - INFO - requires dx < 3.088e-01
stocproc.stocproc - INFO - Fourier Integral Boundaries: [-3.152e+02, 3.172e+02]
stocproc.stocproc - INFO - Number of Nodes : 2048
stocproc.stocproc - INFO - yields dx : 3.088e-01
stocproc.stocproc - INFO - yields dt : 9.935e-03
stocproc.stocproc - INFO - yields t_max : 2.034e+01
#+end_example
* Actual Hops
Generate the key for binary caching.
#+begin_src jupyter-python
hi_key = hierarchyData.HIMetaKey_type(
HiP=HierachyParam,
IntP=IntegrationParam,
SysP=SystemParam,
Eta=Eta,
EtaTherm=None,
)
#+end_src
#+RESULTS:
Initialize Hierarchy.
#+begin_src jupyter-python
myHierarchy = hierarchyLib.HI(hi_key, number_of_samples=N, desc="run a test case")
#+end_src
#+RESULTS:
: init Hi class, use 6 equation
: /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
: warnings.warn(
Run the integration.
#+begin_src jupyter-python
myHierarchy.integrate_simple(data_name="energy_flow_new.data", overwrite=True)
#+end_src
#+RESULTS:
#+begin_example
samples :0.0%
integration :0.0%
samples :2.0%
integration :40.4%
samples :5.0%
integration :19.0%
samples :8.0%
integration :4.6%
samples :11.0%
integration :1.8%
samples :14.0%
integration :1.0%
samples :16.0%
integration :99.8%
samples :19.0%
integration :99.8%
samples :23.0%
integration :0.8%
samples :25.0%
integration :87.8%
samples :28.0%
integration :69.0%
samples :31.0%
integration :62.0%
samples :34.0%
integration :55.6%
samples :37.0%
integration :49.8%
samples :40.0%
integration :39.6%
samples :43.0%
integration :39.4%
samples :46.0%
integration :28.2%
samples :49.0%
integration :28.0%
samples :52.0%
integration :20.4%
samples :55.0%
integration :17.2%
samples :58.0%
integration :12.6%
samples :61.0%
integration :18.6%
samples :64.0%
integration :10.2%
samples :66.0%
integration :82.8%
samples :69.0%
integration :55.6%
samples :72.0%
integration :44.8%
samples :75.0%
integration :41.2%
samples :78.0%
integration :33.2%
samples :81.0%
integration :27.8%
samples :84.0%
integration :30.0%
samples :87.0%
integration :20.0%
samples :90.0%
integration :11.2%
samples :93.0%
integration :10.2%
samples :96.0%
integration :7.8%
samples :99.0%
integration :0.8%
samples : 100%
integration :0.0%

#+end_example
Get the samples.
#+begin_src jupyter-python
# to access the data the 'hi_key' is used to find the data in the hdf5 file
with hierarchyData.HIMetaData(hid_name="energy_flow_new.data", hid_path=".") 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)[:, :, 0:2]
ψ_0 = np.array(data.stoc_traj)
y = np.array(data.y)
#+end_src
#+RESULTS:
: 200 samples found in database
Calculate energy.
#+begin_src jupyter-python
energy = np.array([np.trace(ρ * H_s).real/np.trace(ρ).real for ρ in rho_τ])
plt.plot(τ, energy)
#+end_src
#+RESULTS:
:RESULTS:
| <matplotlib.lines.Line2D | at | 0x7f32e51e6d00> |
[[file:./.ob-jupyter/be6c2de12726698c7cc02ae53a819ba08e14f319.png]]
:END:
#+begin_src jupyter-python
%%space plot
plt.plot(τ, np.trace(rho_τ.T).real)
#+end_src
#+RESULTS:
:RESULTS:
| <matplotlib.lines.Line2D | at | 0x7f32e5154ca0> |
[[file:./.ob-jupyter/3f92fa53823636bc644ef2400693567d7f641b4e.png]]
:END:
* Energy Flow
:PROPERTIES:
:ID: eefb1594-e399-4d24-9dd7-a57addd42e65
:END:
#+begin_src jupyter-python
ψ_1.shape
#+end_src
#+RESULTS:
| 160 | 500 | 2 |
Let's look at the norm.
#+begin_src jupyter-python
plt.plot(τ, (ψ_1[0].conj() * ψ_1[0]).sum(axis=1).real)
#+end_src
#+RESULTS:
:RESULTS:
| <matplotlib.lines.Line2D | at | 0x7f32e50c4a90> |
[[file:./.ob-jupyter/05059610be839a612c11be140a5ad0e2d6bd2ab4.png]]
:END:
And try to calculate the energy flow.
#+begin_src jupyter-python
def flow_for_traj(ψ_0, ψ_1):
a = np.array((L @ ψ_0.T).T)
return np.array(2 * (1j * -W * np.sum(a.conj() * ψ_1, axis=1)).real).flatten()
def flow_for_traj_alt(ψ_0, y):
Eta.new_process(y)
eta_dot = scipy.misc.derivative(Eta, τ, dx=1e-8)
a = np.array((L @ ψ_0.T).T)
return -(
2j * eta_dot.conj() * np.array((np.sum(ψ_0.conj() * a, axis=1))).flatten()
).real
#+end_src
#+RESULTS:
Now we calculate the average over all trajectories.
#+begin_src jupyter-python
j = np.zeros_like(τ)
for i in range(0, N):
j += flow_for_traj(ψ_0[i], ψ_1[i])
j /= N
#+end_src
#+RESULTS:
And do the same with the alternative implementation.
#+begin_src jupyter-python
ja = np.zeros_like(τ)
for i in range(0, N):
ja += flow_for_traj_alt(ψ_0[i], y[i])
ja /= N
#+end_src
#+RESULTS:
And plot it :)
#+begin_src jupyter-python
%matplotlib inline
plt.plot(τ, j)
#plt.plot(τ, ja)
plt.show()
#+end_src
#+RESULTS:
[[file:./.ob-jupyter/750be1a5e9455c104056c0615334e80853388e20.png]]
Let's calculate the integrated energy.
#+begin_src jupyter-python
E_t = np.array([0] + [scipy.integrate.simpson(j[0:n], τ[0:n]) for n in range(1, len(τ))])
E_t[-1]
#+end_src
#+RESULTS:
: 1.999601704648048
With this we can retrieve the energy of the interaction Hamiltonian.
#+begin_src jupyter-python
E_I = 2 - energy - E_t
#+end_src
#+RESULTS:
#+begin_src jupyter-python
%%space plot
plt.rcParams['figure.figsize'] = [15, 10]
#plt.plot(τ, j, label="$J$", linestyle='--')
plt.plot(τ, E_t, label=r"$\langle H_{\mathrm{B}}\rangle$")
plt.plot(τ, E_I, label=r"$\langle H_{\mathrm{I}}\rangle$")
plt.plot(τ, energy, label=r"$\langle H_{\mathrm{S}}\rangle$")
plt.xlabel("τ")
plt.legend()
plt.show()
#+end_src
#+RESULTS:
:RESULTS:
| <matplotlib.lines.Line2D | at | 0x7f32e501ec40> |
| <matplotlib.lines.Line2D | at | 0x7f32e502d070> |
| <matplotlib.lines.Line2D | at | 0x7f32e502d3a0> |
: Text(0.5, 0, 'τ')
: <matplotlib.legend.Legend at 0x7f32e50892e0>
[[file:./.ob-jupyter/45f86f6728fd17bb4bfc0b6d9e8f5ad1fc14898b.png]]
:END:
#+RESULTS:
* System + Interaction Energy
:PROPERTIES:
:ID: cbc95df0-609d-4b1f-a51d-ebca7b680ec7
:END:
#+begin_src jupyter-python
def h_si_for_traj(ψ_0, ψ_1):
a = np.array((L @ ψ_0.T).T)
b = np.array((H_s @ ψ_0.T).T)
E_i = np.array(2 * (-1j * np.sum(a.conj() * ψ_1, axis=1)).real).flatten()
E_s = np.array(np.sum(b.conj() * ψ_0, axis=1)).flatten().real
return E_i + E_s
def h_si_for_traj_alt(ψ_0, y):
Eta.new_process(y)
a = np.array((L.conj().T @ ψ_0.T).T)
b = np.array((H_s @ ψ_0.T).T)
E_i = np.array(2 * (Eta(τ) * 1j * 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
#+end_src
#+RESULTS:
#+begin_src jupyter-python
e_si = np.zeros_like(τ)
for i in range(0, N):
e_si += h_si_for_traj(ψ_0[i], ψ_1[i])
e_si /= N
#+end_src
#+RESULTS:
Checks out.
#+begin_src jupyter-python
plt.plot(τ, e_si)
plt.plot(τ, E_I + energy)
#+end_src
#+RESULTS:
:RESULTS:
| <matplotlib.lines.Line2D | at | 0x7f32e4ebbc10> |
[[file:./.ob-jupyter/db7e2b07936c085337617799cbca51600a0ad57e.png]]
:END: