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This commit is contained in:
Valentin Boettcher 2022-03-31 12:07:42 +02:00
parent da81832103
commit 469fdc4ea1
6 changed files with 125 additions and 122 deletions
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30
flake.lock generated
View file

@ -2,11 +2,11 @@
"nodes": {
"flake-utils": {
"locked": {
"lastModified": 1644229661,
"narHash": "sha256-1YdnJAsNy69bpcjuoKdOYQX0YxZBiCYZo4Twxerqv7k=",
"lastModified": 1648297722,
"narHash": "sha256-W+qlPsiZd8F3XkzXOzAoR+mpFqzm3ekQkJNa+PIh1BQ=",
"owner": "numtide",
"repo": "flake-utils",
"rev": "3cecb5b042f7f209c56ffd8371b2711a290ec797",
"rev": "0f8662f1319ad6abf89b3380dd2722369fc51ade",
"type": "github"
},
"original": {
@ -32,11 +32,11 @@
},
"nixpkgs": {
"locked": {
"lastModified": 1647800324,
"narHash": "sha256-rjwoxrk16zfrcO5Torh6CbAd5GHsHrXw+EwxOvh9AUI=",
"lastModified": 1648390671,
"narHash": "sha256-u69opCeHUx3CsdIerD0wVSR+DjfDQjnztObqfk9Trqc=",
"owner": "NixOS",
"repo": "nixpkgs",
"rev": "9bc841fec1c0e8b9772afa29f934d2c7ce57da8e",
"rev": "ce8cbe3c01fd8ee2de526ccd84bbf9b82397a510",
"type": "github"
},
"original": {
@ -47,11 +47,11 @@
},
"nixpkgs_2": {
"locked": {
"lastModified": 1647800324,
"narHash": "sha256-rjwoxrk16zfrcO5Torh6CbAd5GHsHrXw+EwxOvh9AUI=",
"lastModified": 1648390671,
"narHash": "sha256-u69opCeHUx3CsdIerD0wVSR+DjfDQjnztObqfk9Trqc=",
"owner": "NixOS",
"repo": "nixpkgs",
"rev": "9bc841fec1c0e8b9772afa29f934d2c7ce57da8e",
"rev": "ce8cbe3c01fd8ee2de526ccd84bbf9b82397a510",
"type": "github"
},
"original": {
@ -81,11 +81,11 @@
"nixpkgs": "nixpkgs_3"
},
"locked": {
"lastModified": 1647207818,
"narHash": "sha256-sq68Z6+7On03Sxo57GJeeLQnMgByBtvW2cwGVllyOIc=",
"lastModified": 1648438095,
"narHash": "sha256-TTZ6mu1IO2YxCxd/FtLMixWwpCcgS9eZ7LfzDeoEMUI=",
"owner": "nix-community",
"repo": "poetry2nix",
"rev": "36d295a1d2b6a72af3ad5c0c8d0c358cf90db3cd",
"rev": "33b5419aa62c88bf890877a8b8c74864b4a41122",
"type": "github"
},
"original": {
@ -107,11 +107,11 @@
"poetry2nix": "poetry2nix"
},
"locked": {
"lastModified": 1647887203,
"narHash": "sha256-XV59DF9xxI+3+Lb5h0HT3bDuSQHzFVu3KOFDTyEWm/o=",
"lastModified": 1648546910,
"narHash": "sha256-mb49efdjcFXu1S6EwN4Q+vDYDn2eIIPOEZ8N4zTPMfU=",
"owner": "vale981",
"repo": "hiro-flake-utils",
"rev": "30ea4e6d5218c896e7f88372065a601fe6da4ad1",
"rev": "02504e6918ff7d9d5e9290ebb7a77b6eba78ad0c",
"type": "github"
},
"original": {

59
hiro_models/model_base.py
View file

@ -11,7 +11,7 @@ from abc import ABC, abstractmethod
import qutip as qt
from hops.core.hierarchy_data import HIData
import hopsflow
from hopsflow.util import EnsembleReturn, ensemble_return_add, ensemble_return_scale
from hopsflow.util import EnsembleValue, ensemble_return_add, ensemble_return_scale
import hashlib
import hops.core.hierarchy_parameters as params
@ -196,8 +196,9 @@ class Model(ABC):
return hopsflow.hopsflow.SystemParams(
L=self.coupling_operators,
G=[g_i * scale for g_i, scale in zip(g, self.bcf_scales)],
G=g,
W=w,
bcf_scale=self.bcf_scales,
fock_hops=True,
nonlinear=True,
)
@ -223,7 +224,7 @@ class Model(ABC):
def system_expectation(
self, data: HIData, operator: qt.Qobj, **kwargs
) -> EnsembleReturn:
) -> EnsembleValue:
"""Calculates the expectation value of ``operator`` from the
hierarchy data ``data``.
@ -237,15 +238,15 @@ class Model(ABC):
N, kwargs = _get_N_kwargs(kwargs, data)
return hopsflow.util.operator_expectation_ensemble(
iter(data.stoc_traj), # type: ignore
data.valid_sample_iterator(data.stoc_traj), # type: ignore
operator.full(),
N,
normalize=True, # always nonlinear
save=f"{operator_hash}_{self.hexhash}",
N=N,
**kwargs,
)
def system_energy(self, data: HIData, **kwargs) -> EnsembleReturn:
def system_energy(self, data: HIData, **kwargs) -> EnsembleValue:
"""Calculates the system energy from the hierarchy data
``data``.
@ -258,7 +259,7 @@ class Model(ABC):
operator = self.system
return self.system_expectation(data, operator, real=True, **kwargs)
def bath_energy_flow(self, data: HIData, **kwargs) -> EnsembleReturn:
def bath_energy_flow(self, data: HIData, **kwargs) -> EnsembleValue:
"""Calculates the bath energy flow from the hierarchy data
``data``.
@ -271,16 +272,16 @@ class Model(ABC):
N, kwargs = _get_N_kwargs(kwargs, data)
return hopsflow.hopsflow.heat_flow_ensemble(
data.stoc_traj, # type: ignore
data.aux_states, # type: ignore
data.valid_sample_iterator(data.stoc_traj), # type: ignore
data.valid_sample_iterator(data.aux_states), # type: ignore
self.hopsflow_system,
N,
(data.valid_sample_iterator(data.rng_seed), self.hopsflow_therm(data.time[:])), # type: ignore
save=f"flow_{self.hexhash}",
N=N,
**kwargs,
)
def interaction_energy(self, data: HIData, **kwargs) -> EnsembleReturn:
def interaction_energy(self, data: HIData, **kwargs) -> EnsembleValue:
"""Calculates interaction energy from the hierarchy data
``data``.
@ -293,16 +294,16 @@ class Model(ABC):
N, kwargs = _get_N_kwargs(kwargs, data)
return hopsflow.hopsflow.interaction_energy_ensemble(
data.stoc_traj, # type: ignore
data.aux_states, # type: ignore
data.valid_sample_iterator(data.stoc_traj), # type: ignore
data.valid_sample_iterator(data.aux_states), # type: ignore
self.hopsflow_system,
N,
(data.valid_sample_iterator(data.rng_seed), self.hopsflow_therm(data.time[:])), # type: ignore
N=N,
save=f"interaction_{self.hexhash}",
**kwargs,
)
def bath_energy(self, data: HIData, **kwargs) -> EnsembleReturn:
def bath_energy(self, data: HIData, **kwargs) -> EnsembleValue:
"""Calculates bath energy by integrating the bath energy flow
calculated from the ``data``.
@ -316,18 +317,18 @@ class Model(ABC):
return hopsflow.hopsflow.bath_energy_from_flow(
np.array(data.time),
data.stoc_traj, # type: ignore
data.aux_states, # type: ignore
data.valid_sample_iterator(data.stoc_traj), # type: ignore
data.valid_sample_iterator(data.aux_states), # type: ignore
self.hopsflow_system,
N,
(data.valid_sample_iterator(data.rng_seed), self.hopsflow_therm(data.time[:])), # type: ignore
save=f"flow_{self.hexhash}", # under the hood the flow is used
N=N,
**kwargs,
)
def interaction_energy_from_conservation(
self, data: HIData, **kwargs
) -> EnsembleReturn:
) -> EnsembleValue:
"""Calculates the interaction energy from energy conservations
calculated from the ``data``.
@ -337,23 +338,11 @@ class Model(ABC):
:returns: See :any:`hopsflow.bath_energy_from_flow`.
"""
system = ensemble_return_scale(-1, self.system_energy(data, **kwargs))
bath = ensemble_return_scale(-1, self.bath_energy(data, **kwargs))
total_raw = qt.expect(self.system, self.ψ_0)
system = self.system_energy(data, **kwargs)
bath = self.bath_energy(data, **kwargs)
total = float(qt.expect(self.system, self.ψ_0))
if isinstance(bath, list):
total = [
(N, total_raw * np.ones_like(bath_val), np.zeros_like(bath_val))
for N, bath_val, _ in bath
]
else:
total = (
bath[0],
total_raw * np.ones_like(bath[1]),
np.zeros_like(bath[1]),
)
return ensemble_return_add(ensemble_return_add(total, bath), system)
return total - (system + bath)
def _get_N_kwargs(kwargs: dict, data: HIData) -> tuple[int, dict]:

1
hiro_models/one_qubit_model.py
View file

@ -348,7 +348,6 @@ class QubitModel(Model):
q=[0.5, 0.5],
kfac=[float(self.k_fac)],
)
print(self.k_fac)
hierarchy = params.HiP(
seed=0,

153
poetry.lock generated
View file

@ -28,6 +28,14 @@ six = "*"
[package.extras]
test = ["astroid", "pytest"]
[[package]]
name = "async-timeout"
version = "4.0.2"
description = "Timeout context manager for asyncio programs"
category = "main"
optional = false
python-versions = ">=3.6"
[[package]]
name = "atomicwrites"
version = "1.4.0"
@ -93,11 +101,11 @@ resolved_reference = "f30a9691a5dab1c288b0fafb95ce35c686e1aa29"
[[package]]
name = "click"
version = "8.0.4"
version = "8.1.0"
description = "Composable command line interface toolkit"
category = "main"
optional = false
python-versions = ">=3.6"
python-versions = ">=3.7"
[package.dependencies]
colorama = {version = "*", markers = "platform_system == \"Windows\""}
@ -206,7 +214,7 @@ testing = ["covdefaults (>=1.2.0)", "coverage (>=4)", "pytest (>=4)", "pytest-co
[[package]]
name = "fonttools"
version = "4.31.1"
version = "4.31.2"
description = "Tools to manipulate font files"
category = "main"
optional = false
@ -260,7 +268,7 @@ numpy = ">=1.14.5"
[[package]]
name = "hops"
version = "2.0.0"
version = "2.1.0"
description = "HOPS implementation of the TU-Dresden Theoretical Quantum Optics Group"
category = "main"
optional = false
@ -286,8 +294,8 @@ typer = "^0.4.0"
[package.source]
type = "git"
url = "git@gitlab.hrz.tu-chemnitz.de:s8896854--tu-dresden.de/hops.git"
reference = "BathMemoryTruncation"
resolved_reference = "2f5600c2044a9506e7eceb03c8a50706586884a3"
reference = "main"
resolved_reference = "c93bd4769290a2275eda23a18c5090c60066aadd"
[[package]]
name = "hopsflow"
@ -301,6 +309,7 @@ develop = false
[package.dependencies]
lmfit = "^1.0.3"
numpy = "^1.20.0"
ray = "^1.11.0"
scipy = "^1.7.3"
sqlitedict = "^1.7.0"
stocproc = {git = "https://github.com/vale981/stocproc", branch = "master"}
@ -310,7 +319,7 @@ tqdm = "^4.62.3"
type = "git"
url = "https://github.com/vale981/hopsflow"
reference = "main"
resolved_reference = "aa8edc539d4899fe2e2c83d72a4ae6f17ccc8a78"
resolved_reference = "f5a9889f8e28a1fe03e89bbde607816659698141"
[[package]]
name = "humanfriendly"
@ -333,7 +342,7 @@ python-versions = "*"
[[package]]
name = "ipython"
version = "8.1.1"
version = "8.2.0"
description = "IPython: Productive Interactive Computing"
category = "main"
optional = false
@ -354,7 +363,7 @@ stack-data = "*"
traitlets = ">=5"
[package.extras]
all = ["black", "Sphinx (>=1.3)", "ipykernel", "nbconvert", "nbformat", "ipywidgets", "notebook", "ipyparallel", "qtconsole", "curio", "matplotlib (!=3.2.0)", "numpy (>=1.19)", "pandas", "pytest", "testpath", "trio", "pytest-asyncio"]
all = ["black", "Sphinx (>=1.3)", "ipykernel", "nbconvert", "nbformat", "ipywidgets", "notebook", "ipyparallel", "qtconsole", "pytest (<7.1)", "pytest-asyncio", "testpath", "curio", "matplotlib (!=3.2.0)", "numpy (>=1.19)", "pandas", "trio"]
black = ["black"]
doc = ["Sphinx (>=1.3)"]
kernel = ["ipykernel"]
@ -363,8 +372,8 @@ nbformat = ["nbformat"]
notebook = ["ipywidgets", "notebook"]
parallel = ["ipyparallel"]
qtconsole = ["qtconsole"]
test = ["pytest", "pytest-asyncio", "testpath"]
test_extra = ["curio", "matplotlib (!=3.2.0)", "nbformat", "numpy (>=1.19)", "pandas", "pytest", "testpath", "trio"]
test = ["pytest (<7.1)", "pytest-asyncio", "testpath"]
test_extra = ["pytest (<7.1)", "pytest-asyncio", "testpath", "curio", "matplotlib (!=3.2.0)", "nbformat", "numpy (>=1.19)", "pandas", "trio"]
[[package]]
name = "jedi"
@ -399,7 +408,7 @@ format_nongpl = ["fqdn", "idna", "isoduration", "jsonpointer (>1.13)", "rfc3339-
[[package]]
name = "kiwisolver"
version = "1.4.0"
version = "1.4.2"
description = "A fast implementation of the Cassowary constraint solver"
category = "main"
optional = false
@ -752,15 +761,17 @@ tune = ["pandas", "tabulate", "tensorboardX (>=1.9)", "requests"]
[[package]]
name = "redis"
version = "4.1.4"
version = "4.2.0"
description = "Python client for Redis database and key-value store"
category = "main"
optional = false
python-versions = ">=3.6"
[package.dependencies]
async-timeout = ">=4.0.2"
deprecated = ">=1.2.3"
packaging = ">=20.4"
typing-extensions = "*"
[package.extras]
hiredis = ["hiredis (>=1.0.0)"]
@ -864,7 +875,7 @@ python-versions = ">=3.7"
[[package]]
name = "tqdm"
version = "4.63.0"
version = "4.63.1"
description = "Fast, Extensible Progress Meter"
category = "main"
optional = false
@ -910,7 +921,7 @@ test = ["shellingham (>=1.3.0,<2.0.0)", "pytest (>=4.4.0,<5.4.0)", "pytest-cov (
name = "typing-extensions"
version = "4.1.1"
description = "Backported and Experimental Type Hints for Python 3.6+"
category = "dev"
category = "main"
optional = false
python-versions = ">=3.6"
@ -950,7 +961,7 @@ python-versions = "!=3.0.*,!=3.1.*,!=3.2.*,!=3.3.*,!=3.4.*,>=2.7"
[metadata]
lock-version = "1.1"
python-versions = ">=3.9,<3.11"
content-hash = "15fdd535b5eb2a7c575d615592889c0fca3cca0dba1464940561c3f3eaea1a8b"
content-hash = "b9309519c81f331219fa01396a6b4b8a4b59cc67e4f944051c435dec4287fd05"
[metadata.files]
appnope = [
@ -964,6 +975,10 @@ asttokens = [
{file = "asttokens-2.0.5-py2.py3-none-any.whl", hash = "sha256:0844691e88552595a6f4a4281a9f7f79b8dd45ca4ccea82e5e05b4bbdb76705c"},
{file = "asttokens-2.0.5.tar.gz", hash = "sha256:9a54c114f02c7a9480d56550932546a3f1fe71d8a02f1bc7ccd0ee3ee35cf4d5"},
]
async-timeout = [
{file = "async-timeout-4.0.2.tar.gz", hash = "sha256:2163e1640ddb52b7a8c80d0a67a08587e5d245cc9c553a74a847056bc2976b15"},
{file = "async_timeout-4.0.2-py3-none-any.whl", hash = "sha256:8ca1e4fcf50d07413d66d1a5e416e42cfdf5851c981d679a09851a6853383b3c"},
]
atomicwrites = [
{file = "atomicwrites-1.4.0-py2.py3-none-any.whl", hash = "sha256:6d1784dea7c0c8d4a5172b6c620f40b6e4cbfdf96d783691f2e1302a7b88e197"},
{file = "atomicwrites-1.4.0.tar.gz", hash = "sha256:ae70396ad1a434f9c7046fd2dd196fc04b12f9e91ffb859164193be8b6168a7a"},
@ -982,8 +997,8 @@ beartype = [
]
binfootprint = []
click = [
{file = "click-8.0.4-py3-none-any.whl", hash = "sha256:6a7a62563bbfabfda3a38f3023a1db4a35978c0abd76f6c9605ecd6554d6d9b1"},
{file = "click-8.0.4.tar.gz", hash = "sha256:8458d7b1287c5fb128c90e23381cf99dcde74beaf6c7ff6384ce84d6fe090adb"},
{file = "click-8.1.0-py3-none-any.whl", hash = "sha256:19a4baa64da924c5e0cd889aba8e947f280309f1a2ce0947a3e3a7bcb7cc72d6"},
{file = "click-8.1.0.tar.gz", hash = "sha256:977c213473c7665d3aa092b41ff12063227751c41d7b17165013e10069cc5cd2"},
]
click-spinner = [
{file = "click-spinner-0.1.10.tar.gz", hash = "sha256:87eacf9d7298973a25d7615ef57d4782aebf913a532bba4b28a37e366e975daf"},
@ -1019,8 +1034,8 @@ filelock = [
{file = "filelock-3.6.0.tar.gz", hash = "sha256:9cd540a9352e432c7246a48fe4e8712b10acb1df2ad1f30e8c070b82ae1fed85"},
]
fonttools = [
{file = "fonttools-4.31.1-py3-none-any.whl", hash = "sha256:2b288eae806800668cb5cdf52a37b5ac701c5adda2dd5c88b685581ce3385285"},
{file = "fonttools-4.31.1.zip", hash = "sha256:f8b35ed9ba189710994cec2c86b8eb5f0c49336698575e439a0d5671d3ca1ace"},
{file = "fonttools-4.31.2-py3-none-any.whl", hash = "sha256:2df636a3f402ef14593c6811dac0609563b8c374bd7850e76919eb51ea205426"},
{file = "fonttools-4.31.2.zip", hash = "sha256:236b29aee6b113e8f7bee28779c1230a86ad2aac9a74a31b0aedf57e7dfb62a4"},
]
future = [
{file = "future-0.18.2.tar.gz", hash = "sha256:b1bead90b70cf6ec3f0710ae53a525360fa360d306a86583adc6bf83a4db537d"},
@ -1100,8 +1115,8 @@ iniconfig = [
{file = "iniconfig-1.1.1.tar.gz", hash = "sha256:bc3af051d7d14b2ee5ef9969666def0cd1a000e121eaea580d4a313df4b37f32"},
]
ipython = [
{file = "ipython-8.1.1-py3-none-any.whl", hash = "sha256:6f56bfaeaa3247aa3b9cd3b8cbab3a9c0abf7428392f97b21902d12b2f42a381"},
{file = "ipython-8.1.1.tar.gz", hash = "sha256:8138762243c9b3a3ffcf70b37151a2a35c23d3a29f9743878c33624f4207be3d"},
{file = "ipython-8.2.0-py3-none-any.whl", hash = "sha256:1b672bfd7a48d87ab203d9af8727a3b0174a4566b4091e9447c22fb63ea32857"},
{file = "ipython-8.2.0.tar.gz", hash = "sha256:70e5eb132cac594a34b5f799bd252589009905f05104728aea6a403ec2519dc1"},
]
jedi = [
{file = "jedi-0.18.1-py2.py3-none-any.whl", hash = "sha256:637c9635fcf47945ceb91cd7f320234a7be540ded6f3e99a50cb6febdfd1ba8d"},
@ -1112,49 +1127,49 @@ jsonschema = [
{file = "jsonschema-4.4.0.tar.gz", hash = "sha256:636694eb41b3535ed608fe04129f26542b59ed99808b4f688aa32dcf55317a83"},
]
kiwisolver = [
{file = "kiwisolver-1.4.0-cp310-cp310-macosx_10_9_universal2.whl", hash = "sha256:70e7b7a4ebeddef423115ea31857732fc04e0f38dd1e6385e1af05b6164a3d0f"},
{file = "kiwisolver-1.4.0-cp310-cp310-macosx_10_9_x86_64.whl", hash = "sha256:384b5076b2c0172003abca9ba8b8c5efcaaffd31616f3f5e0a09dcc34772d012"},
{file = "kiwisolver-1.4.0-cp310-cp310-macosx_11_0_arm64.whl", hash = "sha256:334a7e3d498a0a791245f0964c746d0414e9b13aef73237f0d798a2101fdbae9"},
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{file = "kiwisolver-1.4.0-cp310-cp310-manylinux_2_12_x86_64.manylinux2010_x86_64.whl", hash = "sha256:65cbdbe14dc5988e362eb15e02dd24c6724238cb235132f812f1e3a29a61a3de"},
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@ -1570,8 +1585,8 @@ tomli = [
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2
pyproject.toml
View file

@ -11,7 +11,7 @@ python = ">=3.9,<3.11"
numpy = "^1.20.0"
qutip = "^4.6.3"
hopsflow = { git = "https://github.com/vale981/hopsflow", branch="main" }
hops = { git = "git@gitlab.hrz.tu-chemnitz.de:s8896854--tu-dresden.de/hops.git", branch="BathMemoryTruncation" }
hops = { git = "git@gitlab.hrz.tu-chemnitz.de:s8896854--tu-dresden.de/hops.git", branch="main" }
beartype = "^0.10.1"
filelock = "^3.6.0"

2
test_one_qubit_model.py
View file

@ -2,7 +2,7 @@ import pytest
import random
from hiro_models.one_qubit_model import *
from qutip import *
from utility import assert_serializable
from hiro_models.utility import assert_serializable
import scipy.integrate