diff --git a/.github/workflows/bump-version-bot.yml b/.github/workflows/bump-version-bot.yml index 7ec1aa40..b333db22 100644 --- a/.github/workflows/bump-version-bot.yml +++ b/.github/workflows/bump-version-bot.yml @@ -12,13 +12,13 @@ jobs: bump-version: runs-on: ubuntu-latest steps: - - uses: actions/checkout@v4 + - uses: actions/checkout@v6 with: fetch-depth: 0 token: ${{ secrets.GITHUB_TOKEN }} - name: Set up Python - uses: actions/setup-python@v3 + uses: actions/setup-python@v6 with: python-version: "3.11" diff --git a/.github/workflows/jb-doc.yml b/.github/workflows/jb-doc.yml index 485bb4a4..5f9dce66 100644 --- a/.github/workflows/jb-doc.yml +++ b/.github/workflows/jb-doc.yml @@ -3,36 +3,65 @@ name: jb-docs on: push: branches: - - main # or your default branch - paths-ignore: - - 'pyproject.toml' + - main workflow_dispatch: +# Required permissions for the official GitHub Pages deployment flow permissions: - contents: write + contents: read # You only need to read the code to build it + pages: write # Required to upload the site to the Pages server + id-token: write # Required to verify the identity of the runner (OIDC) + +# Ensure only one deployment runs at a time to prevent race conditions +concurrency: + group: "pages" + cancel-in-progress: false jobs: deploy-book: runs-on: ubuntu-latest + environment: + name: github-pages + url: ${{ steps.deployment.outputs.page_url }} steps: - - uses: actions/checkout@v5 + - name: Checkout + uses: actions/checkout@v6 - - name: Set up Python 3.12 - uses: actions/setup-python@v5 + # 1. Setup uv (Node 24 compatible version) + - name: Install uv + uses: astral-sh/setup-uv@v5 with: python-version: "3.12" + enable-cache: true + # 2. Install dependencies - name: Install dependencies run: | - pip install --upgrade pip - pip install ".[docs]" + uv pip install ".[docs]" + # 3. Build the book - name: Build the book run: | - jupyter-book build docs/ + uv run jupyter-book build docs/ + + # 4. Upload Pages Artifact (The missing bridge) + # This packs the HTML into a specific format for the deployer + - name: Upload Pages Artifact + uses: actions/upload-pages-artifact@v3 + with: + path: docs/_build/html + # 5. Deploy to GitHub Pages + # This takes the artifact from Step 4 and makes it live - name: Deploy to GitHub Pages - uses: peaceiris/actions-gh-pages@v4 + id: deployment + uses: actions/deploy-pages@v4 + + # 6. Backup/Preview upload (Standard Artifact) + # Note: 'archive: false' is removed because it fails on directories in v7. + - name: Upload Docs Artifact + uses: actions/upload-artifact@v7 with: - github_token: ${{ secrets.GITHUB_TOKEN }} - publish_dir: docs/_build/html \ No newline at end of file + name: html-docs-snapshot + path: docs/_build/html + retention-days: 7 diff --git a/.github/workflows/on-push.yml b/.github/workflows/on-push.yml index 7fd65c0b..4af5be47 100644 --- a/.github/workflows/on-push.yml +++ b/.github/workflows/on-push.yml @@ -1,12 +1,11 @@ # This workflow will install Python dependencies, run tests and lint with a variety of Python versions # For more information see: https://docs.github.com/en/actions/automating-builds-and-tests/building-and-testing-python -name: Python package +name: Python Lint and Format on: + # Ensure this workflow is run on every push, even pull request. push: - paths-ignore: - - 'pyproject.toml' jobs: build: @@ -17,23 +16,26 @@ jobs: python-version: ["3.10", "3.11", "3.12"] steps: - - uses: actions/checkout@v4 - - name: Set up Python ${{ matrix.python-version }} - uses: actions/setup-python@v3 + - uses: actions/checkout@v6 + # 1. Install uv (much faster than actions/setup-python) + - name: Install uv + uses: astral-sh/setup-uv@v5 with: python-version: ${{ matrix.python-version }} + enable-cache: true # Automatically caches your dependencies + + # 2. Install qse using uv - name: Install qse and testing dependencies run: | - python -m pip install ".[dev]" - - name: Lint with flake8 - run: | - flake8 qse - - name: Sort imports with isort - run: | - isort . --check --diff - - name: Format code with black + uv sync --dev + + # 3. Lint & Format (replaces flake8, isort, and black) + - name: Lint and Format with Ruff run: | - black . --check --diff + uv run ruff check . --output-format github + uv run ruff format --check . + + # 4. Test with pytest - name: Test with pytest run: | - python -m pytest tests/qse tests/qse_pulser + uv run pytest tests/qse tests/qse_pulser diff --git a/.github/workflows/publish-pypi.yml b/.github/workflows/publish-pypi.yml index f5932440..cfddcb28 100644 --- a/.github/workflows/publish-pypi.yml +++ b/.github/workflows/publish-pypi.yml @@ -22,10 +22,10 @@ jobs: steps: - name: Checkout repository - uses: actions/checkout@v4 + uses: actions/checkout@v6 - name: Set up Python - uses: actions/setup-python@v5 + uses: actions/setup-python@v6 with: python-version: "3.x" diff --git a/.github/workflows/sphinx.yml b/.github/workflows/sphinx.yml index 52b35c7f..3a51a7cd 100644 --- a/.github/workflows/sphinx.yml +++ b/.github/workflows/sphinx.yml @@ -14,26 +14,36 @@ jobs: contents: write steps: - - uses: actions/checkout@v4 + - uses: actions/checkout@v6 with: - persist-credentials: false - - name: Set up Python - uses: actions/setup-python@v3 + persist-credentials: false + + # 1. Setup uv (Caching is extra helpful here given the docs dependency size) + - name: Install uv + uses: astral-sh/setup-uv@v5 with: python-version: "3.12" - - name: Install qse and docs dependencies + enable-cache: true + + # 2. Install qse with docs extras + - name: Install dependencies run: | - python -m pip install ".[docs]" + uv pip install ".[docs]" + + # 3. Build HTML using uv run - name: Build HTML run: | - cd docs && make html && cd - + uv run make -C docs html + + # 4. Upload artifacts for inspection - name: Upload artifacts - uses: actions/upload-artifact@v4 + uses: actions/upload-artifact@v7 with: name: html-docs path: docs/build/html/ + - name: Deploy - uses: peaceiris/actions-gh-pages@v3 + uses: peaceiris/actions-gh-pages@v4 if: github.ref == 'refs/heads/main' with: github_token: ${{ secrets.GITHUB_TOKEN }} diff --git a/.pre-commit-config.yaml b/.pre-commit-config.yaml new file mode 100644 index 00000000..105ef3d5 --- /dev/null +++ b/.pre-commit-config.yaml @@ -0,0 +1,9 @@ +repos: + - repo: local + hooks: + - id: pre-push-gatekeeper + name: Master Gatekeeper + entry: uv run scripts/pre-push.py + language: system + stages: [pre-push] + pass_filenames: false \ No newline at end of file diff --git a/.python-version b/.python-version new file mode 100644 index 00000000..e4fba218 --- /dev/null +++ b/.python-version @@ -0,0 +1 @@ +3.12 diff --git a/README.md b/README.md index 975a9bd3..77d18617 100644 --- a/README.md +++ b/README.md @@ -1,107 +1,122 @@ -# QSE -The Quantum Simulation Environment (QSE) package is adapted from Atomic Simulation Environment (ASE) to suit the needs for an abstract representation for -- `i. defining quantum computing systems` -- `ii. computing operations/simulations` +# Quantum Simulation Environment (QSE) -in a vendor agnostic way. ASE's modular nature, and extensability make it very useful for a similar quantum computing application. +## Description -## Installation -See the [installation page](https://ichec.github.io/qse/INSTALLATION.html). +The **Quantum Simulation Environment (QSE)** is a flexible, modular, high-level Python library designed to +decouple the essence of the quantum simulation problem from the technicalities of the backend software/hardware. -## Contributing -See the [contributing page](https://github.com/ICHEC/qse/blob/main/CONTRIBUTIONS.md). +>> [!important] This project is under active development. -## QSE Overview -Following are the primary classes for the QSE - +## Architectural Overview -|Class | Description | -|-------|----------------------------------- | -| Qbit | Class to represent sinple qubit | -| Qbits | Class for a collection of qibits | -| Cell | Class to construct periodic structures | -|Calculator| Class to construct a suit of computation| +QSE organizes these concerns into modular components. The user interacts primarily +with the `Qbits` and `Lattices` to frame the problem, then attaches a `Calculator`. -In the current stage the Qbits object can be constructed from coordinates, and periodic structures can be constructed by manipulating cell objects. +### Core Components -QSE layout is divided into two major objects, **Qbits** and **Calculators**. +#### 1. Framing the System (`Qbits`) +`Qbits` class represents the spatial setup, where you define the "What.". +It is a collection of quantum degrees of freedom defined by their coordinates. +Instead of thinking about qubits as abstract indices in a register, you treat +them as physical entities with coordinates. -```mermaid ---- -align: center ---- +- Arbitrary Coordinates: Place qubits exactly where you need them. +- Lattice Generation: Quickly build 2D/3D grids (Square, Kagome, Triangular, etc.). -graph LR; -subgraph "Qbits"; -SubGraph1Flow(Cell); -Qbits1\nQbit2\nQbit3\nQbit4\nQbit5\nQbit6; -end -Qbits<-->Calculator; -style Qbits fill:, stroke:#333, stroke-width:3 -style Calculator fill:,stroke:#333,stroke-width:2px -``` +#### 2. Solving the Problem (`Calculator`) + +The `Calculator` is a high-level wrapper. It defines the interaction between the +quantum degrees of freedom represented by the `Qbits`. Once Qbits are defined, +you "attach" them to a calculator. The calculator translates your physical setup +into the specific language required by the backend (e.g., Pulser's pulses or QuTiP's Hamiltonians). + +## Quick Start: Defining a Lattice + +This example shows how easily a physical system on a lattice can be defined without any +backend specific code. +```python +import qse +# 1. Frame the problem: Create a 4x4 square lattice +qsqr = qse.lattices.square( + lattice_spacing=2.0, + repeats_x=4, repeats_y=4) -```mermaid ---- -title: QSE components ---- -classDiagram - Qbit --|> Qbits - Cell --|> Qbits - Calculator <|--|> Qbits - - class Qbit{ - ndarray: position - ndarray: state - get_position() - } - class Cell{ - int: rank - ndarray: cellpar - repeat() - } - class Qbits{ - ndarray: positions - ndarray: states - get_scaled_positions() - get_calc() - set_calc() - } - class Calculator{ - qbits - get_energy() - get_state() - } +# 2. Visualise the lattice +qsqr.draw(radius=5.0) + +# 3. Choose your backend calculator +# calc = qse.calc.Pulser(...) +# calc.qbits = qsqr # attach the system ``` -# Dependency tree +### Qbits -![](./qse.svg) +`Qbit` is the smallest class that represents just one qubit. `Qbits` is the primary class that represents a collection of qubits. +It can be instantiated by providing a list of coordinates, or as an empty class. +See the [Qbits examples](https://ichec.github.io/qse/tutorials/creating_and_manipulating_qbits.html) for more details. ---- +### Calculator -Points to note +Calculators are high level wrappers that let us offload the quantum problem to several backends. +Currently the list of backends supported are following, and they largely support analog quantum +simulation. -- Check interoperability of Sequence and waveform. - - Waveform is any timeseries data. - - Sequence is a pair of waveforms one for $\Omega$ and one for $\delta$. - - The output on the same time grid can be expressed as a waveform. -- Checkout channel +- [Pulser](https://pulser.readthedocs.io/en/stable/), +- [myQLM](https://myqlm.github.io/), and +- [Qutip](https://qutip.org/) -```mermaid -graph TD +## 🎯 The Philosophy: Separation of Concerns -L((Lattice)) -N((Non-lattice)) -A((Analog )) -G((Gate-based)) +The core value of QSE is the strict separation between **Problem Framing** and **Problem Execution** +| Phase | Responsibility | User Focus | +| ----------------- | -------------------- | ---------- | +| Problem Framing | `Qbits` & `Lattices` | Defining geometry, positions, and quantum degrees of freedom. | +| Backend Execution | `Calculators` | Handling SDK-specific syntax, hardware constraints, and simulators. | -L---A -N---G -L---G -N---A +>> [!IMPORTANT] Why this matters +>> 1. **Backend Agnostic:** Frame your problem once; simulate it on Pulser, myQLM, or QuTiP just by switching one line of code. +>> 2. **No More "Jargon":** You don't need to learn the specific pulse sequences or gate-level syntax of every vendor to get started. You focus on the lattice and the physics. +>> 3. **Reproducibility:** Your problem definition remains a "clean" representation of the physical model, making it easier to share and verify across different research groups. -``` +## 📍Position-Dependent Quantum Degrees of Freedom + +Unlike standard gate-based frameworks where qubits are abstract entities in a register, QSE treats qubits as physical objects with coordinates. This is crucial for simulations where the interaction strength between qubits is a function of their spatial separation. + +### Why Positions Matter + +In many physical implementations of quantum simulators—such as Rydberg Atom Arrays or Trapped Ions—the Hamiltonian of the system is governed by the distance $R_{ij}​=|{\bf R}_i - {\bf R}_j|$ between qubits $i$ and $j$: + +$$ +H = \sum_i \Omega_i\sigma_i^x - \sum_i \delta_i n_i + \sum_{i> [!NOTE] Note +By keeping the problem definition independent of the backend, QSE ensures that the computational workflow +remains portable even as the quantum hardware landscape changes. diff --git a/docs/theory/adiabatic_evolution.ipynb b/docs/theory/adiabatic_evolution.ipynb index 4d7163ca..d01b6fa1 100644 --- a/docs/theory/adiabatic_evolution.ipynb +++ b/docs/theory/adiabatic_evolution.ipynb @@ -66,9 +66,9 @@ "metadata": {}, "outputs": [], "source": [ + "import matplotlib.pyplot as plt\n", "import numpy as np\n", - "import qutip as qp\n", - "import matplotlib.pyplot as plt" + "import qutip as qp" ] }, { diff --git a/docs/theory/blockade-radius.ipynb b/docs/theory/blockade-radius.ipynb index 51d0b2b3..cc51c99c 100644 --- a/docs/theory/blockade-radius.ipynb +++ b/docs/theory/blockade-radius.ipynb @@ -15,9 +15,9 @@ "metadata": {}, "outputs": [], "source": [ - "import qutip as qp\n", + "import matplotlib.pyplot as plt\n", "import numpy as np\n", - "import matplotlib.pyplot as plt" + "import qutip as qp" ] }, { diff --git a/docs/tutorials/creating_and_manipulating_qbits.ipynb b/docs/tutorials/creating_and_manipulating_qbits.ipynb index 4e3d79fa..58765cd7 100644 --- a/docs/tutorials/creating_and_manipulating_qbits.ipynb +++ b/docs/tutorials/creating_and_manipulating_qbits.ipynb @@ -13,8 +13,9 @@ "metadata": {}, "outputs": [], "source": [ - "import qse\n", - "import numpy as np" + "import numpy as np\n", + "\n", + "import qse" ] }, { diff --git a/docs/tutorials/finite-geometries.ipynb b/docs/tutorials/finite-geometries.ipynb index f47dea12..ae96fa4d 100644 --- a/docs/tutorials/finite-geometries.ipynb +++ b/docs/tutorials/finite-geometries.ipynb @@ -17,8 +17,9 @@ "metadata": {}, "outputs": [], "source": [ - "import qse\n", - "import numpy as np" + "import numpy as np\n", + "\n", + "import qse" ] }, { diff --git a/docs/tutorials/generating_lattices.ipynb b/docs/tutorials/generating_lattices.ipynb index afa1f2c5..ac5ffb2b 100644 --- a/docs/tutorials/generating_lattices.ipynb +++ b/docs/tutorials/generating_lattices.ipynb @@ -15,6 +15,7 @@ "outputs": [], "source": [ "import numpy as np\n", + "\n", "import qse" ] }, diff --git a/docs/tutorials/pulser-calc-example.ipynb b/docs/tutorials/pulser-calc-example.ipynb index baa2d376..d5add4df 100644 --- a/docs/tutorials/pulser-calc-example.ipynb +++ b/docs/tutorials/pulser-calc-example.ipynb @@ -17,6 +17,7 @@ "outputs": [], "source": [ "import numpy as np\n", + "\n", "import qse" ] }, diff --git a/docs/tutorials/vqe_qiskit.ipynb b/docs/tutorials/vqe_qiskit.ipynb index d630b687..d8c7b98f 100644 --- a/docs/tutorials/vqe_qiskit.ipynb +++ b/docs/tutorials/vqe_qiskit.ipynb @@ -19,9 +19,8 @@ "outputs": [], "source": [ "import numpy as np\n", - "import qse\n", - "from qse.operator.operator import Operator\n", - "from qse.operator.operators import Operators" + "\n", + "import qse" ] }, { @@ -110,10 +109,8 @@ "metadata": {}, "outputs": [], "source": [ - "from qiskit.primitives import StatevectorEstimator\n", "from qiskit.circuit.library import efficient_su2\n", - "\n", - "import numpy as np\n", + "from qiskit.primitives import StatevectorEstimator\n", "from scipy.optimize import minimize" ] }, diff --git a/docs/use-cases/adiabatic.ipynb b/docs/use-cases/adiabatic.ipynb index b9e31341..847fd04c 100644 --- a/docs/use-cases/adiabatic.ipynb +++ b/docs/use-cases/adiabatic.ipynb @@ -48,9 +48,10 @@ "metadata": {}, "outputs": [], "source": [ - "import qse\n", "import matplotlib.pyplot as plt\n", - "import numpy as np" + "import numpy as np\n", + "\n", + "import qse" ] }, { diff --git a/docs/use-cases/ssh_model.ipynb b/docs/use-cases/ssh_model.ipynb index de30f729..fb5725d6 100644 --- a/docs/use-cases/ssh_model.ipynb +++ b/docs/use-cases/ssh_model.ipynb @@ -36,9 +36,10 @@ "metadata": {}, "outputs": [], "source": [ - "import qse\n", + "import matplotlib.pyplot as plt\n", "import numpy as np\n", - "import matplotlib.pyplot as plt" + "\n", + "import qse" ] }, { @@ -73,7 +74,7 @@ "qbits1.add_dim() # Make 2D\n", "\n", "qbits2 = qse.lattices.chain(lattice_spacing=lattice_spacing, repeats=repeats)\n", - "qbits2.labels = [f\"B{i}-{i+repeats}\" for i in range(repeats)]\n", + "qbits2.labels = [f\"B{i}-{i + repeats}\" for i in range(repeats)]\n", "qbits2.add_dim()\n", "qbits2.translate((lattice_spacing * 0.5, 8))\n", "\n", diff --git a/examples/pulser-myqlm-conversion.ipynb b/examples/pulser-myqlm-conversion.ipynb deleted file mode 100644 index 52e4035e..00000000 --- a/examples/pulser-myqlm-conversion.ipynb +++ /dev/null @@ -1,2091 +0,0 @@ -{ - "cells": [ - { - "cell_type": "markdown", - "metadata": {}, - "source": [ - "# Pulser-MyQLM Conversion" - ] - }, - { - "cell_type": "code", - "execution_count": null, - "metadata": {}, - "outputs": [], - "source": [ - "import numpy as np\n", - "import qat\n", - "from qat.core import Schedule\n", - "\n", - "# from qat.qpus import AnalogQPU\n", - "from qlmaas.qpus import AnalogQPU\n", - "\n", - "# import qse\n", - "from time import time\n", - "import qse\n", - "import numpy as np\n", - "import qat\n", - "from qat.core import Schedule\n", - "\n", - "# from qat.qpus import AnalogQPU\n", - "from qlmaas.qpus import AnalogQPU\n", - "\n", - "# import qse\n", - "from time import time\n", - "import pickle\n", - "import numpy as np\n", - "import pulser\n", - "import qutip\n", - "from pprint import pprint\n", - "from pulser import Pulse, Sequence, Register\n", - "import pulser.waveforms\n", - "from pulser.waveforms import ConstantWaveform, RampWaveform\n", - "from pulser.devices import MockDevice\n", - "from pulser_simulation import QutipEmulator, SimConfig\n", - "import matplotlib.pyplot as plt\n", - "import qse\n", - "from pulser.devices import AnalogDevice" - ] - }, - { - "cell_type": "markdown", - "metadata": {}, - "source": [ - "## Testing a one atom setup with 0 amplitude and detuning" - ] - }, - { - "cell_type": "code", - "execution_count": null, - "metadata": {}, - "outputs": [], - "source": [ - "Omega_max = 2.0 * 2 * np.pi\n", - "U = Omega_max / 2.0\n", - "R_interatomic = MockDevice.rydberg_blockade_radius(U)\n", - "reg = Register.square(1, R_interatomic, prefix=\"q\")\n", - "print(f\"Interatomic Radius is: {R_interatomic}µm.\")\n", - "reg.draw()" - ] - }, - { - "cell_type": "code", - "execution_count": null, - "metadata": {}, - "outputs": [], - "source": [ - "delta_0 = -6 * U\n", - "delta_f = 2 * U\n", - "t_rise = 252\n", - "t_fall = 500\n", - "t_sweep = (delta_f - delta_0) / (2 * np.pi * 10) * 1000\n", - "rise = Pulse.ConstantDetuning(RampWaveform(t_rise, 0.0, 0.0), 0, 0.0)\n", - "sweep = Pulse.ConstantAmplitude(Omega_max, RampWaveform(t_sweep, delta_0, delta_f), 0.0)\n", - "fall = Pulse.ConstantDetuning(RampWaveform(t_fall, Omega_max, 0.0), delta_f, 0.0)\n", - "seq1 = Sequence(reg, MockDevice)\n", - "seq1.declare_channel(\"ising\", \"rydberg_global\")\n", - "\n", - "seq1.add(rise, \"ising\")\n", - "seq1.add(sweep, \"ising\")\n", - "seq1.add(fall, \"ising\")\n", - "\n", - "seq1.draw()" - ] - }, - { - "cell_type": "code", - "execution_count": null, - "metadata": {}, - "outputs": [], - "source": [ - "sim = QutipEmulator.from_sequence(seq1)" - ] - }, - { - "cell_type": "code", - "execution_count": null, - "metadata": {}, - "outputs": [], - "source": [ - "import qse.qbits\n", - "\n", - "L = 3\n", - "nqbits = L * L\n", - "qsqr = qse.Qbits(positions=np.array([[0, 0, 0]]))\n", - "\n", - "\n", - "Omega = 1.2 # Amplitude\n", - "delta = 2.0 # detuning\n", - "C6 = 5420158.53 # interaction scale\n", - "nqbits = 1" - ] - }, - { - "cell_type": "code", - "execution_count": null, - "metadata": {}, - "outputs": [], - "source": [ - "H1_terms = [qat.core.Term(0.5, \"X\", [i]) for i in range(qsqr.nqbits)]\n", - "H1 = qat.core.Observable(nqbits, pauli_terms=H1_terms)\n", - "\n", - "H2_terms = [qat.core.Term(-0.5, \"Z\", [i]) for i in range(qsqr.nqbits)]\n", - "H2 = qat.core.Observable(nqbits, pauli_terms=H2_terms)\n", - "\n", - "rij = qsqr.get_all_distances()\n", - "\n", - "\n", - "def occ_op(nqbits, qi):\n", - " ti = qat.core.Term(1.0, \"Z\", [qi])\n", - " return (1 + qat.core.Observable(nqbits, pauli_terms=[ti])) / 2\n", - "\n", - "\n", - "#\n", - "# H3 = 0\n", - "\n", - "# for i in range(nqbits):\n", - "# for j in range(i + 1, nqbits):\n", - "# H3 += (C6 / rij[i, j]**6) * occ_op(nqbits, i) * occ_op(nqbits, j)" - ] - }, - { - "cell_type": "code", - "execution_count": null, - "metadata": {}, - "outputs": [], - "source": [ - "from qat.core.variables import Variable, heaviside\n", - "from qat.core import Observable\n", - "\n", - "\n", - "def create_waveform(times, values):\n", - " \"\"\"\n", - " A Funnction allowing us to concatenate many lines, limited by heavisides,\n", - " thus creating a continuous, kinked line.\n", - " \"\"\"\n", - " assert len(times) == len(values)\n", - " # Store the final line as an ArithExpression\n", - " arith_expr = 0\n", - " t_var = Variable(\"t\")\n", - " # A line between each two points\n", - " for entry_i in range(1, len(times)):\n", - " # Create ax + b by calculating the slope and the offset\n", - " a = (values[entry_i] - values[entry_i - 1]) / (\n", - " times[entry_i] - times[entry_i - 1]\n", - " )\n", - " b = (\n", - " (values[entry_i] + values[entry_i - 1])\n", - " - a * (times[entry_i] + times[entry_i - 1])\n", - " ) / 2\n", - " respective_line = a * t_var + b\n", - " arith_expr += (\n", - " heaviside(t_var, times[entry_i - 1], times[entry_i]) * respective_line\n", - " )\n", - " return arith_expr\n", - "\n", - "\n", - "#\n", - "Omega_max = 2.0 * 2 * np.pi\n", - "U = Omega_max / 2.0\n", - "\n", - "delta_0 = -6 * U\n", - "delta_f = 2 * U\n", - "\n", - "t_rise = 0.252\n", - "t_fall = 0.500\n", - "t_sweep = ((delta_f - delta_0) / (2 * np.pi * 10) * 1000) * (10**-3)\n", - "\n", - "\n", - "# The waveform of Omega - for the sigma_x terms\n", - "omega_values = [0.0, 0, Omega_max, 0]\n", - "times_omega = [0, t_rise, t_rise + t_sweep, t_rise + t_sweep + t_fall]\n", - "\n", - "\n", - "omega_waveform = create_waveform(times_omega, omega_values)\n", - "# The waveform of the detuning Delta - for the 'n' terms\n", - "delta_start = -2 * np.pi * 13\n", - "delta_end = 2 * np.pi * 11 # R_blockade is taken as 7.5\n", - "delta_values = [0, 0, delta_f, delta_f]\n", - "delta_waveform = create_waveform(times_omega, delta_values)" - ] - }, - { - "cell_type": "code", - "execution_count": null, - "metadata": {}, - "outputs": [], - "source": [ - "from qat.core import Observable\n", - "\n", - "Hamiltonian = Observable(\n", - " [\n", - " (omega_waveform, H1),\n", - " (delta_waveform, H2),\n", - " ]\n", - ")\n", - "\n", - "schedule = Schedule(\n", - " drive=[\n", - " (omega_waveform, H1),\n", - " (delta_waveform, H2),\n", - " ],\n", - " tmax=t_rise + t_sweep + t_fall,\n", - ")" - ] - }, - { - "cell_type": "code", - "execution_count": null, - "metadata": {}, - "outputs": [], - "source": [ - "schedule.display()" - ] - }, - { - "cell_type": "code", - "execution_count": null, - "metadata": {}, - "outputs": [], - "source": [ - "matrixm = 0 * H1.to_matrix(sparse=False) + 0 * H2.to_matrix(sparse=False)" - ] - }, - { - "cell_type": "code", - "execution_count": null, - "metadata": {}, - "outputs": [], - "source": [ - "matrixp = sim.get_hamiltonian(0).get_data().toarray()\n", - "plt.imshow(matrixp.real)\n", - "print(matrixp)\n", - "np.savetxt(\"matrix-p.dat\", matrixp.real)\n", - "np.all(matrixp.imag == 0)" - ] - }, - { - "cell_type": "code", - "execution_count": null, - "metadata": {}, - "outputs": [], - "source": [ - "plt.imshow(matrixm.real)\n", - "print(matrixm)\n", - "np.savetxt(\"matrix-m.dat\", matrixm.real)\n", - "np.all(matrixm.imag == 0)" - ] - }, - { - "cell_type": "code", - "execution_count": null, - "metadata": {}, - "outputs": [], - "source": [ - "plt.imshow(matrix0.real)\n", - "print(matrix0)\n", - "np.savetxt(\"matrix-q.dat\", matrix0.real)\n", - "np.all(matrix0.imag == 0)" - ] - }, - { - "cell_type": "markdown", - "metadata": {}, - "source": [ - "## Testing a one atom setup with 0 amplitude and detuning set to fixed value" - ] - }, - { - "cell_type": "code", - "execution_count": null, - "metadata": {}, - "outputs": [], - "source": [ - "Omega_max = 2.0 * 2 * np.pi\n", - "U = Omega_max / 2.0\n", - "R_interatomic = MockDevice.rydberg_blockade_radius(U)\n", - "reg = Register.square(1, R_interatomic, prefix=\"q\")\n", - "print(f\"Interatomic Radius is: {R_interatomic}µm.\")\n", - "reg.draw()" - ] - }, - { - "cell_type": "code", - "execution_count": null, - "metadata": {}, - "outputs": [], - "source": [ - "delta_0 = -6 * U\n", - "delta_f = 2 * U\n", - "t_rise = 252\n", - "t_fall = 500\n", - "t_sweep = (delta_f - delta_0) / (2 * np.pi * 10) * 1000\n", - "rise = Pulse.ConstantDetuning(RampWaveform(t_rise, 0.0, 0.0), delta_0, 0.0)\n", - "sweep = Pulse.ConstantAmplitude(Omega_max, RampWaveform(t_sweep, delta_0, delta_f), 0.0)\n", - "fall = Pulse.ConstantDetuning(RampWaveform(t_fall, Omega_max, 0.0), delta_f, 0.0)\n", - "seq1 = Sequence(reg, MockDevice)\n", - "seq1.declare_channel(\"ising\", \"rydberg_global\")\n", - "\n", - "seq1.add(rise, \"ising\")\n", - "seq1.add(sweep, \"ising\")\n", - "seq1.add(fall, \"ising\")\n", - "\n", - "seq1.draw()" - ] - }, - { - "cell_type": "code", - "execution_count": null, - "metadata": {}, - "outputs": [], - "source": [ - "sim = QutipEmulator.from_sequence(seq1)" - ] - }, - { - "cell_type": "code", - "execution_count": null, - "metadata": {}, - "outputs": [], - "source": [ - "import qse.qbits\n", - "\n", - "L = 3\n", - "nqbits = L * L\n", - "qsqr = qse.Qbits(positions=np.array([[0, 0, 0]]))\n", - "\n", - "\n", - "Omega = 1.2 # Amplitude\n", - "delta = 2.0 # detuning\n", - "C6 = 5420158.53 # interaction scale\n", - "nqbits = 1" - ] - }, - { - "cell_type": "code", - "execution_count": null, - "metadata": {}, - "outputs": [], - "source": [ - "H1_terms = [qat.core.Term(0.5, \"X\", [i]) for i in range(qsqr.nqbits)]\n", - "H1 = qat.core.Observable(nqbits, pauli_terms=H1_terms)\n", - "\n", - "H2_terms = [qat.core.Term(-0.5, \"Z\", [i]) for i in range(qsqr.nqbits)]\n", - "H2 = qat.core.Observable(nqbits, pauli_terms=H2_terms)\n", - "\n", - "rij = qsqr.get_all_distances()\n", - "\n", - "\n", - "def occ_op(nqbits, qi):\n", - " ti = qat.core.Term(1.0, \"Z\", [qi])\n", - " return (1 + qat.core.Observable(nqbits, pauli_terms=[ti])) / 2\n", - "\n", - "\n", - "#\n", - "# H3 = 0\n", - "\n", - "# for i in range(nqbits):\n", - "# for j in range(i + 1, nqbits):\n", - "# H3 += (C6 / rij[i, j]**6) * occ_op(nqbits, i) * occ_op(nqbits, j)" - ] - }, - { - "cell_type": "code", - "execution_count": null, - "metadata": {}, - "outputs": [], - "source": [ - "from qat.core.variables import Variable, heaviside\n", - "from qat.core import Observable\n", - "\n", - "\n", - "def create_waveform(times, values):\n", - " \"\"\"\n", - " A Funnction allowing us to concatenate many lines, limited by heavisides,\n", - " thus creating a continuous, kinked line.\n", - " \"\"\"\n", - " assert len(times) == len(values)\n", - " # Store the final line as an ArithExpression\n", - " arith_expr = 0\n", - " t_var = Variable(\"t\")\n", - " # A line between each two points\n", - " for entry_i in range(1, len(times)):\n", - " # Create ax + b by calculating the slope and the offset\n", - " a = (values[entry_i] - values[entry_i - 1]) / (\n", - " times[entry_i] - times[entry_i - 1]\n", - " )\n", - " b = (\n", - " (values[entry_i] + values[entry_i - 1])\n", - " - a * (times[entry_i] + times[entry_i - 1])\n", - " ) / 2\n", - " respective_line = a * t_var + b\n", - " arith_expr += (\n", - " heaviside(t_var, times[entry_i - 1], times[entry_i]) * respective_line\n", - " )\n", - " return arith_expr\n", - "\n", - "\n", - "#\n", - "Omega_max = 2.0 * 2 * np.pi\n", - "U = Omega_max / 2.0\n", - "\n", - "delta_0 = -6 * U\n", - "delta_f = 2 * U\n", - "\n", - "t_rise = 0.252\n", - "t_fall = 0.500\n", - "t_sweep = ((delta_f - delta_0) / (2 * np.pi * 10) * 1000) * (10**-3)\n", - "\n", - "\n", - "# The waveform of Omega - for the sigma_x terms\n", - "omega_values = [0.0, 0, Omega_max, 0]\n", - "times_omega = [0, t_rise, t_rise + t_sweep, t_rise + t_sweep + t_fall]\n", - "\n", - "\n", - "omega_waveform = create_waveform(times_omega, omega_values)\n", - "# The waveform of the detuning Delta - for the 'n' terms\n", - "delta_start = -2 * np.pi * 13\n", - "delta_end = 2 * np.pi * 11 # R_blockade is taken as 7.5\n", - "delta_values = [delta_0, 0, delta_f, delta_f]\n", - "delta_waveform = create_waveform(times_omega, delta_values)" - ] - }, - { - "cell_type": "code", - "execution_count": null, - "metadata": {}, - "outputs": [], - "source": [ - "from qat.core import Observable\n", - "\n", - "Hamiltonian = Observable(\n", - " [\n", - " (omega_waveform, H1),\n", - " (delta_waveform, H2),\n", - " ]\n", - ")\n", - "\n", - "schedule = Schedule(\n", - " drive=[\n", - " (omega_waveform, H1),\n", - " (delta_waveform, H2),\n", - " ],\n", - " tmax=t_rise + t_sweep + t_fall,\n", - ")" - ] - }, - { - "cell_type": "code", - "execution_count": null, - "metadata": {}, - "outputs": [], - "source": [ - "schedule.display()" - ] - }, - { - "cell_type": "code", - "execution_count": null, - "metadata": {}, - "outputs": [], - "source": [ - "matrixm = 0 * H1.to_matrix(sparse=False) + delta_0 * H2.to_matrix(sparse=False)" - ] - }, - { - "cell_type": "code", - "execution_count": null, - "metadata": {}, - "outputs": [], - "source": [ - "matrixp = sim.get_hamiltonian(0).get_data().toarray()\n", - "plt.imshow(matrixp.real)\n", - "print(matrixp)\n", - "np.savetxt(\"matrix-p.dat\", matrixp.real)\n", - "np.all(matrixp.imag == 0)" - ] - }, - { - "cell_type": "code", - "execution_count": null, - "metadata": {}, - "outputs": [], - "source": [ - "plt.imshow(matrixm.real)\n", - "print(matrixm)\n", - "np.savetxt(\"matrix-m.dat\", matrixm.real)\n", - "np.all(matrixm.imag == 0)" - ] - }, - { - "cell_type": "markdown", - "metadata": {}, - "source": [ - "## Testing one atom with Amplitude set to fixed number and detuning to 0\n" - ] - }, - { - "cell_type": "code", - "execution_count": null, - "metadata": {}, - "outputs": [], - "source": [ - "Omega_max = 2.0 * 2 * np.pi\n", - "U = Omega_max / 2.0\n", - "R_interatomic = MockDevice.rydberg_blockade_radius(U)\n", - "reg = Register.square(1, R_interatomic, prefix=\"q\")\n", - "print(f\"Interatomic Radius is: {R_interatomic}µm.\")\n", - "reg.draw()" - ] - }, - { - "cell_type": "code", - "execution_count": null, - "metadata": {}, - "outputs": [], - "source": [ - "delta_0 = -6 * U\n", - "delta_f = 2 * U\n", - "t_rise = 252\n", - "t_fall = 500\n", - "t_sweep = (delta_f - delta_0) / (2 * np.pi * 10) * 1000\n", - "rise = Pulse.ConstantDetuning(RampWaveform(t_rise, Omega_max, Omega_max), 0, 0.0)\n", - "sweep = Pulse.ConstantAmplitude(Omega_max, RampWaveform(t_sweep, delta_0, delta_f), 0.0)\n", - "fall = Pulse.ConstantDetuning(RampWaveform(t_fall, Omega_max, 0.0), delta_f, 0.0)\n", - "seq1 = Sequence(reg, MockDevice)\n", - "seq1.declare_channel(\"ising\", \"rydberg_global\")\n", - "\n", - "seq1.add(rise, \"ising\")\n", - "seq1.add(sweep, \"ising\")\n", - "seq1.add(fall, \"ising\")\n", - "\n", - "seq1.draw()" - ] - }, - { - "cell_type": "code", - "execution_count": null, - "metadata": {}, - "outputs": [], - "source": [ - "sim = QutipEmulator.from_sequence(seq1)" - ] - }, - { - "cell_type": "code", - "execution_count": null, - "metadata": {}, - "outputs": [], - "source": [ - "import qse.qbits\n", - "\n", - "L = 3\n", - "nqbits = L * L\n", - "qsqr = qse.Qbits(positions=np.array([[0, 0, 0]]))\n", - "\n", - "\n", - "Omega = 1.2 # Amplitude\n", - "delta = 2.0 # detuning\n", - "C6 = 5420158.53 # interaction scale\n", - "nqbits = 1" - ] - }, - { - "cell_type": "code", - "execution_count": null, - "metadata": {}, - "outputs": [], - "source": [ - "H1_terms = [qat.core.Term(0.5, \"X\", [i]) for i in range(qsqr.nqbits)]\n", - "H1 = qat.core.Observable(nqbits, pauli_terms=H1_terms)\n", - "\n", - "H2_terms = [qat.core.Term(-0.5, \"Z\", [i]) for i in range(qsqr.nqbits)]\n", - "H2 = qat.core.Observable(nqbits, pauli_terms=H2_terms)\n", - "\n", - "rij = qsqr.get_all_distances()\n", - "\n", - "\n", - "def occ_op(nqbits, qi):\n", - " ti = qat.core.Term(1.0, \"Z\", [qi])\n", - " return (1 + qat.core.Observable(nqbits, pauli_terms=[ti])) / 2\n", - "\n", - "\n", - "#\n", - "# H3 = 0\n", - "\n", - "# for i in range(nqbits):\n", - "# for j in range(i + 1, nqbits):\n", - "# H3 += (C6 / rij[i, j]**6) * occ_op(nqbits, i) * occ_op(nqbits, j)" - ] - }, - { - "cell_type": "code", - "execution_count": null, - "metadata": {}, - "outputs": [], - "source": [ - "from qat.core.variables import Variable, heaviside\n", - "from qat.core import Observable\n", - "\n", - "\n", - "def create_waveform(times, values):\n", - " \"\"\"\n", - " A Funnction allowing us to concatenate many lines, limited by heavisides,\n", - " thus creating a continuous, kinked line.\n", - " \"\"\"\n", - " assert len(times) == len(values)\n", - " # Store the final line as an ArithExpression\n", - " arith_expr = 0\n", - " t_var = Variable(\"t\")\n", - " # A line between each two points\n", - " for entry_i in range(1, len(times)):\n", - " # Create ax + b by calculating the slope and the offset\n", - " a = (values[entry_i] - values[entry_i - 1]) / (\n", - " times[entry_i] - times[entry_i - 1]\n", - " )\n", - " b = (\n", - " (values[entry_i] + values[entry_i - 1])\n", - " - a * (times[entry_i] + times[entry_i - 1])\n", - " ) / 2\n", - " respective_line = a * t_var + b\n", - " arith_expr += (\n", - " heaviside(t_var, times[entry_i - 1], times[entry_i]) * respective_line\n", - " )\n", - " return arith_expr\n", - "\n", - "\n", - "#\n", - "Omega_max = 2.0 * 2 * np.pi\n", - "U = Omega_max / 2.0\n", - "\n", - "delta_0 = -6 * U\n", - "delta_f = 2 * U\n", - "\n", - "t_rise = 0.252\n", - "t_fall = 0.500\n", - "t_sweep = ((delta_f - delta_0) / (2 * np.pi * 10) * 1000) * (10**-3)\n", - "\n", - "\n", - "# The waveform of Omega - for the sigma_x terms\n", - "omega_values = [Omega_max, 0, Omega_max, 0]\n", - "times_omega = [0, t_rise, t_rise + t_sweep, t_rise + t_sweep + t_fall]\n", - "\n", - "\n", - "omega_waveform = create_waveform(times_omega, omega_values)\n", - "# The waveform of the detuning Delta - for the 'n' terms\n", - "delta_start = -2 * np.pi * 13\n", - "delta_end = 2 * np.pi * 11 # R_blockade is taken as 7.5\n", - "delta_values = [0, 0, delta_f, delta_f]\n", - "delta_waveform = create_waveform(times_omega, delta_values)" - ] - }, - { - "cell_type": "code", - "execution_count": null, - "metadata": {}, - "outputs": [], - "source": [ - "from qat.core import Observable\n", - "\n", - "Hamiltonian = Observable(\n", - " [\n", - " (omega_waveform, H1),\n", - " (delta_waveform, H2),\n", - " ]\n", - ")\n", - "\n", - "schedule = Schedule(\n", - " drive=[\n", - " (omega_waveform, H1),\n", - " (delta_waveform, H2),\n", - " ],\n", - " tmax=t_rise + t_sweep + t_fall,\n", - ")" - ] - }, - { - "cell_type": "code", - "execution_count": null, - "metadata": {}, - "outputs": [], - "source": [ - "schedule.display()" - ] - }, - { - "cell_type": "code", - "execution_count": null, - "metadata": {}, - "outputs": [], - "source": [ - "matrixm = Omega_max * H1.to_matrix(sparse=False) + 0 * H2.to_matrix(sparse=False)" - ] - }, - { - "cell_type": "code", - "execution_count": null, - "metadata": {}, - "outputs": [], - "source": [ - "matrixp = sim.get_hamiltonian(0).get_data().toarray()\n", - "plt.imshow(matrixp.real)\n", - "print(matrixp)\n", - "np.savetxt(\"matrix-p.dat\", matrixp.real)" - ] - }, - { - "cell_type": "code", - "execution_count": null, - "metadata": {}, - "outputs": [], - "source": [ - "plt.imshow(matrixm.real)\n", - "print(matrixm)\n", - "np.savetxt(\"matrix-m.dat\", matrixm.real)\n", - "np.all(matrixm.imag == 0)" - ] - }, - { - "cell_type": "markdown", - "metadata": {}, - "source": [ - "## Testing a one atom setup with 0 amplitude and detuning checking interaction term" - ] - }, - { - "cell_type": "code", - "execution_count": null, - "metadata": {}, - "outputs": [], - "source": [ - "Omega_max = 2.0 * 2 * np.pi\n", - "U = Omega_max / 2.0\n", - "R_interatomic = MockDevice.rydberg_blockade_radius(U)\n", - "reg = Register.from_coordinates([[0, 0], [2, 0]])\n", - "print(f\"Interatomic Radius is: {R_interatomic}µm.\")\n", - "reg.draw()" - ] - }, - { - "cell_type": "code", - "execution_count": null, - "metadata": {}, - "outputs": [], - "source": [ - "delta_0 = -6 * U\n", - "delta_f = 2 * U\n", - "t_rise = 252\n", - "t_fall = 500\n", - "t_sweep = (delta_f - delta_0) / (2 * np.pi * 10) * 1000\n", - "rise = Pulse.ConstantDetuning(RampWaveform(t_rise, 0.0, 0.0), 0, 0.0)\n", - "sweep = Pulse.ConstantAmplitude(Omega_max, RampWaveform(t_sweep, delta_0, delta_f), 0.0)\n", - "fall = Pulse.ConstantDetuning(RampWaveform(t_fall, Omega_max, 0.0), delta_f, 0.0)\n", - "seq1 = Sequence(reg, MockDevice)\n", - "seq1.declare_channel(\"ising\", \"rydberg_global\")\n", - "\n", - "seq1.add(rise, \"ising\")\n", - "seq1.add(sweep, \"ising\")\n", - "seq1.add(fall, \"ising\")\n", - "\n", - "seq1.draw()" - ] - }, - { - "cell_type": "code", - "execution_count": null, - "metadata": {}, - "outputs": [], - "source": [ - "sim = QutipEmulator.from_sequence(seq1)" - ] - }, - { - "cell_type": "code", - "execution_count": null, - "metadata": {}, - "outputs": [], - "source": [ - "import qse.qbits\n", - "\n", - "L = 3\n", - "nqbits = L * L\n", - "qsqr = qse.Qbits(positions=np.array([[0, 0, 0], [2, 0, 0]]))\n", - "\n", - "\n", - "Omega = 1.2 # Amplitude\n", - "delta = 2.0 # detuning\n", - "C6 = 5420158.53 # interaction scale\n", - "nqbits = 2" - ] - }, - { - "cell_type": "code", - "execution_count": null, - "metadata": {}, - "outputs": [], - "source": [ - "H1_terms = [qat.core.Term(0.5, \"X\", [i]) for i in range(qsqr.nqbits)]\n", - "H1 = qat.core.Observable(nqbits, pauli_terms=H1_terms)\n", - "\n", - "H2_terms = [qat.core.Term(-0.5, \"Z\", [i]) for i in range(qsqr.nqbits)]\n", - "H2 = qat.core.Observable(nqbits, pauli_terms=H2_terms)\n", - "\n", - "rij = qsqr.get_all_distances()\n", - "\n", - "\n", - "def occ_op(nqbits, qi):\n", - " ti = qat.core.Term(1.0, \"Z\", [qi])\n", - " return (1 + qat.core.Observable(nqbits, pauli_terms=[ti])) / 2\n", - "\n", - "\n", - "#\n", - "H3 = 0\n", - "\n", - "for i in range(nqbits):\n", - " for j in range(i + 1, nqbits):\n", - " H3 += (C6 / rij[i, j] ** 6) * occ_op(nqbits, i) * occ_op(nqbits, j)" - ] - }, - { - "cell_type": "code", - "execution_count": null, - "metadata": {}, - "outputs": [], - "source": [ - "from qat.core.variables import Variable, heaviside\n", - "from qat.core import Observable\n", - "\n", - "\n", - "def create_waveform(times, values):\n", - " \"\"\"\n", - " A Funnction allowing us to concatenate many lines, limited by heavisides,\n", - " thus creating a continuous, kinked line.\n", - " \"\"\"\n", - " assert len(times) == len(values)\n", - " # Store the final line as an ArithExpression\n", - " arith_expr = 0\n", - " t_var = Variable(\"t\")\n", - " # A line between each two points\n", - " for entry_i in range(1, len(times)):\n", - " # Create ax + b by calculating the slope and the offset\n", - " a = (values[entry_i] - values[entry_i - 1]) / (\n", - " times[entry_i] - times[entry_i - 1]\n", - " )\n", - " b = (\n", - " (values[entry_i] + values[entry_i - 1])\n", - " - a * (times[entry_i] + times[entry_i - 1])\n", - " ) / 2\n", - " respective_line = a * t_var + b\n", - " arith_expr += (\n", - " heaviside(t_var, times[entry_i - 1], times[entry_i]) * respective_line\n", - " )\n", - " return arith_expr\n", - "\n", - "\n", - "#\n", - "Omega_max = 2.0 * 2 * np.pi\n", - "U = Omega_max / 2.0\n", - "\n", - "delta_0 = -6 * U\n", - "delta_f = 2 * U\n", - "\n", - "t_rise = 0.252\n", - "t_fall = 0.500\n", - "t_sweep = ((delta_f - delta_0) / (2 * np.pi * 10) * 1000) * (10**-3)\n", - "\n", - "\n", - "# The waveform of Omega - for the sigma_x terms\n", - "omega_values = [0.0, 0, Omega_max, 0]\n", - "times_omega = [0, t_rise, t_rise + t_sweep, t_rise + t_sweep + t_fall]\n", - "\n", - "\n", - "omega_waveform = create_waveform(times_omega, omega_values)\n", - "# The waveform of the detuning Delta - for the 'n' terms\n", - "delta_start = -2 * np.pi * 13\n", - "delta_end = 2 * np.pi * 11 # R_blockade is taken as 7.5\n", - "delta_values = [0, 0, delta_f, delta_f]\n", - "delta_waveform = create_waveform(times_omega, delta_values)" - ] - }, - { - "cell_type": "code", - "execution_count": null, - "metadata": {}, - "outputs": [], - "source": [ - "from qat.core import Observable\n", - "\n", - "Hamiltonian = Observable(\n", - " [\n", - " (omega_waveform, H1),\n", - " (delta_waveform, H2),\n", - " ]\n", - ")\n", - "\n", - "schedule = Schedule(\n", - " drive=[\n", - " (omega_waveform, H1),\n", - " (delta_waveform, H2),\n", - " ],\n", - " tmax=t_rise + t_sweep + t_fall,\n", - ")" - ] - }, - { - "cell_type": "code", - "execution_count": null, - "metadata": {}, - "outputs": [], - "source": [ - "schedule.display()" - ] - }, - { - "cell_type": "code", - "execution_count": null, - "metadata": {}, - "outputs": [], - "source": [ - "matrixm = (\n", - " 0 * H1.to_matrix(sparse=False)\n", - " + 0 * H2.to_matrix(sparse=False)\n", - " + H3.to_matrix(sparse=False)\n", - ")" - ] - }, - { - "cell_type": "code", - "execution_count": null, - "metadata": {}, - "outputs": [], - "source": [ - "H3.to_matrix(sparse=False)" - ] - }, - { - "cell_type": "code", - "execution_count": null, - "metadata": {}, - "outputs": [], - "source": [ - "matrixp = sim.get_hamiltonian(0).get_data().toarray()\n", - "plt.imshow(matrixp.real)\n", - "print(matrixp)\n", - "np.savetxt(\"matrix-p.dat\", matrixp.real)\n", - "np.all(matrixp.imag == 0)" - ] - }, - { - "cell_type": "code", - "execution_count": null, - "metadata": {}, - "outputs": [], - "source": [ - "plt.imshow(matrixm.real)\n", - "print(matrixm)\n", - "np.savetxt(\"matrix-m.dat\", matrixm.real)\n", - "np.all(matrixm.imag == 0)" - ] - }, - { - "cell_type": "markdown", - "metadata": {}, - "source": [ - "## Testing more atoms with 0 amplitude and detuning checking interaction term" - ] - }, - { - "cell_type": "code", - "execution_count": null, - "metadata": {}, - "outputs": [], - "source": [ - "Omega_max = 2.0 * 2 * np.pi\n", - "U = Omega_max / 2.0\n", - "R_interatomic = MockDevice.rydberg_blockade_radius(U)\n", - "reg = Register.from_coordinates(\n", - " [[0, 0], [2, 0], [4, 0], [0, 2], [2, 2], [4, 2], [0, 4], [2, 4], [4, 4]]\n", - ")\n", - "print(f\"Interatomic Radius is: {R_interatomic}µm.\")\n", - "reg.draw()" - ] - }, - { - "cell_type": "code", - "execution_count": null, - "metadata": {}, - "outputs": [], - "source": [ - "delta_0 = -6 * U\n", - "delta_f = 2 * U\n", - "t_rise = 252\n", - "t_fall = 500\n", - "t_sweep = (delta_f - delta_0) / (2 * np.pi * 10) * 1000\n", - "rise = Pulse.ConstantDetuning(RampWaveform(t_rise, 0.0, 0.0), 0, 0.0)\n", - "sweep = Pulse.ConstantAmplitude(Omega_max, RampWaveform(t_sweep, delta_0, delta_f), 0.0)\n", - "fall = Pulse.ConstantDetuning(RampWaveform(t_fall, Omega_max, 0.0), delta_f, 0.0)\n", - "seq1 = Sequence(reg, MockDevice)\n", - "seq1.declare_channel(\"ising\", \"rydberg_global\")\n", - "\n", - "seq1.add(rise, \"ising\")\n", - "seq1.add(sweep, \"ising\")\n", - "seq1.add(fall, \"ising\")\n", - "\n", - "seq1.draw()" - ] - }, - { - "cell_type": "code", - "execution_count": null, - "metadata": {}, - "outputs": [], - "source": [ - "sim = QutipEmulator.from_sequence(seq1)" - ] - }, - { - "cell_type": "code", - "execution_count": null, - "metadata": {}, - "outputs": [], - "source": [ - "import qse.qbits\n", - "\n", - "L = 3\n", - "nqbits = L * L\n", - "qsqr = qse.Qbits(\n", - " positions=np.array(\n", - " [\n", - " [0, 0, 0],\n", - " [2, 0, 0],\n", - " [4, 0, 0],\n", - " [0, 2, 0],\n", - " [2, 2, 0],\n", - " [4, 2, 0],\n", - " [0, 4, 0],\n", - " [2, 4, 0],\n", - " [4, 4, 0],\n", - " ]\n", - " )\n", - ")\n", - "\n", - "\n", - "Omega = 1.2 # Amplitude\n", - "delta = 2.0 # detuning\n", - "C6 = 5420158.53 # interaction scale" - ] - }, - { - "cell_type": "code", - "execution_count": null, - "metadata": {}, - "outputs": [], - "source": [ - "H1_terms = [qat.core.Term(0.5, \"X\", [i]) for i in range(qsqr.nqbits)]\n", - "H1 = qat.core.Observable(nqbits, pauli_terms=H1_terms)\n", - "\n", - "H2_terms = [qat.core.Term(-0.5, \"Z\", [i]) for i in range(qsqr.nqbits)]\n", - "H2 = qat.core.Observable(nqbits, pauli_terms=H2_terms)\n", - "\n", - "rij = qsqr.get_all_distances()\n", - "\n", - "\n", - "def occ_op(nqbits, qi):\n", - " ti = qat.core.Term(1.0, \"Z\", [qi])\n", - " return (1 + qat.core.Observable(nqbits, pauli_terms=[ti])) / 2\n", - "\n", - "\n", - "#\n", - "H3 = 0\n", - "\n", - "for i in range(nqbits):\n", - " for j in range(i + 1, nqbits):\n", - " H3 += (C6 / rij[i, j] ** 6) * occ_op(nqbits, i) * occ_op(nqbits, j)" - ] - }, - { - "cell_type": "code", - "execution_count": null, - "metadata": {}, - "outputs": [], - "source": [ - "from qat.core.variables import Variable, heaviside\n", - "from qat.core import Observable\n", - "\n", - "\n", - "def create_waveform(times, values):\n", - " \"\"\"\n", - " A Funnction allowing us to concatenate many lines, limited by heavisides,\n", - " thus creating a continuous, kinked line.\n", - " \"\"\"\n", - " assert len(times) == len(values)\n", - " # Store the final line as an ArithExpression\n", - " arith_expr = 0\n", - " t_var = Variable(\"t\")\n", - " # A line between each two points\n", - " for entry_i in range(1, len(times)):\n", - " # Create ax + b by calculating the slope and the offset\n", - " a = (values[entry_i] - values[entry_i - 1]) / (\n", - " times[entry_i] - times[entry_i - 1]\n", - " )\n", - " b = (\n", - " (values[entry_i] + values[entry_i - 1])\n", - " - a * (times[entry_i] + times[entry_i - 1])\n", - " ) / 2\n", - " respective_line = a * t_var + b\n", - " arith_expr += (\n", - " heaviside(t_var, times[entry_i - 1], times[entry_i]) * respective_line\n", - " )\n", - " return arith_expr\n", - "\n", - "\n", - "#\n", - "Omega_max = 2.0 * 2 * np.pi\n", - "U = Omega_max / 2.0\n", - "\n", - "delta_0 = -6 * U\n", - "delta_f = 2 * U\n", - "\n", - "t_rise = 0.252\n", - "t_fall = 0.500\n", - "t_sweep = ((delta_f - delta_0) / (2 * np.pi * 10) * 1000) * (10**-3)\n", - "\n", - "\n", - "# The waveform of Omega - for the sigma_x terms\n", - "omega_values = [0.0, 0, Omega_max, 0]\n", - "times_omega = [0, t_rise, t_rise + t_sweep, t_rise + t_sweep + t_fall]\n", - "\n", - "\n", - "omega_waveform = create_waveform(times_omega, omega_values)\n", - "# The waveform of the detuning Delta - for the 'n' terms\n", - "delta_start = -2 * np.pi * 13\n", - "delta_end = 2 * np.pi * 11 # R_blockade is taken as 7.5\n", - "delta_values = [0, 0, delta_f, delta_f]\n", - "delta_waveform = create_waveform(times_omega, delta_values)" - ] - }, - { - "cell_type": "code", - "execution_count": null, - "metadata": {}, - "outputs": [], - "source": [ - "from qat.core import Observable\n", - "\n", - "Hamiltonian = Observable(\n", - " [\n", - " (omega_waveform, H1),\n", - " (delta_waveform, H2),\n", - " ]\n", - ")\n", - "\n", - "schedule = Schedule(\n", - " drive=[\n", - " (omega_waveform, H1),\n", - " (delta_waveform, H2),\n", - " ],\n", - " tmax=t_rise + t_sweep + t_fall,\n", - ")" - ] - }, - { - "cell_type": "code", - "execution_count": null, - "metadata": {}, - "outputs": [], - "source": [ - "schedule.display()" - ] - }, - { - "cell_type": "code", - "execution_count": null, - "metadata": {}, - "outputs": [], - "source": [ - "matrixm = (\n", - " 0 * H1.to_matrix(sparse=False)\n", - " + 0 * H2.to_matrix(sparse=False)\n", - " + H3.to_matrix(sparse=False)\n", - ")" - ] - }, - { - "cell_type": "code", - "execution_count": null, - "metadata": {}, - "outputs": [], - "source": [ - "H3.to_matrix(sparse=False)" - ] - }, - { - "cell_type": "code", - "execution_count": null, - "metadata": {}, - "outputs": [], - "source": [ - "matrixp = sim.get_hamiltonian(0).get_data().toarray()\n", - "plt.imshow(matrixp.real)\n", - "print(matrixp)\n", - "np.savetxt(\"matrix-p.dat\", matrixp.real)\n", - "np.all(matrixp.imag == 0)" - ] - }, - { - "cell_type": "code", - "execution_count": null, - "metadata": {}, - "outputs": [], - "source": [ - "plt.imshow(matrixm.real)\n", - "print(matrixm)\n", - "np.savetxt(\"matrix-m.dat\", matrixm.real)\n", - "np.all(matrixm.imag == 0)" - ] - }, - { - "cell_type": "code", - "execution_count": null, - "metadata": {}, - "outputs": [], - "source": [ - "np.savetxt(\"matrix-q.dat\", matrixm.real)\n", - "np.savetxt(\"matrix-p.dat\", matrixp.real)" - ] - }, - { - "cell_type": "code", - "execution_count": null, - "metadata": {}, - "outputs": [], - "source": [ - "p = np.loadtxt(\"matrix-p.dat\")\n", - "q = np.loadtxt(\"matrix-q.dat\")\n", - "plt.imshow(p == q)\n", - "\n", - "pd = p.diagonal()\n", - "qd = q.diagonal()\n", - "print(p / q)" - ] - }, - { - "cell_type": "code", - "execution_count": null, - "metadata": {}, - "outputs": [], - "source": [ - "print(pd / qd)" - ] - }, - { - "cell_type": "code", - "execution_count": null, - "metadata": {}, - "outputs": [], - "source": [ - "print(qd)" - ] - }, - { - "cell_type": "code", - "execution_count": null, - "metadata": {}, - "outputs": [], - "source": [] - }, - { - "cell_type": "markdown", - "metadata": {}, - "source": [ - "## Testing more atoms with fixed amplitude and 0 detuning checking interaction term" - ] - }, - { - "cell_type": "code", - "execution_count": null, - "metadata": {}, - "outputs": [], - "source": [ - "Omega_max = 2.0 * 2 * np.pi\n", - "U = Omega_max / 2.0\n", - "R_interatomic = MockDevice.rydberg_blockade_radius(U)\n", - "reg = Register.from_coordinates(\n", - " [[0, 0], [10, 0], [20, 0], [0, 10], [10, 10], [20, 10], [0, 20], [10, 20], [20, 20]]\n", - ")\n", - "print(f\"Interatomic Radius is: {R_interatomic}µm.\")\n", - "reg.draw()" - ] - }, - { - "cell_type": "code", - "execution_count": null, - "metadata": {}, - "outputs": [], - "source": [ - "delta_0 = -6 * U\n", - "delta_f = 2 * U\n", - "t_rise = 252\n", - "t_fall = 500\n", - "t_sweep = (delta_f - delta_0) / (2 * np.pi * 10) * 1000\n", - "rise = Pulse.ConstantAmplitude(10, RampWaveform(t_rise, 0.0, 0.0), 0.0)\n", - "sweep = Pulse.ConstantAmplitude(10, RampWaveform(t_sweep, delta_0, delta_f), 0.0)\n", - "fall = Pulse.ConstantDetuning(RampWaveform(t_fall, Omega_max, 0.0), delta_f, 0.0)\n", - "seq1 = Sequence(reg, MockDevice)\n", - "seq1.declare_channel(\"ising\", \"rydberg_global\")\n", - "\n", - "seq1.add(rise, \"ising\")\n", - "seq1.add(sweep, \"ising\")\n", - "seq1.add(fall, \"ising\")\n", - "\n", - "seq1.draw()" - ] - }, - { - "cell_type": "code", - "execution_count": null, - "metadata": {}, - "outputs": [], - "source": [ - "sim = QutipEmulator.from_sequence(seq1)" - ] - }, - { - "cell_type": "code", - "execution_count": null, - "metadata": {}, - "outputs": [], - "source": [ - "results = sim.run(progress_bar=True)" - ] - }, - { - "cell_type": "code", - "execution_count": null, - "metadata": {}, - "outputs": [], - "source": [ - "import matplotlib.pyplot as plt\n", - "\n", - "count = results.sample_final_state()\n", - "\n", - "most_freq = {k: v for k, v in count.items() if v > 10}\n", - "plt.bar(list(most_freq.keys()), list(most_freq.values()))\n", - "plt.xticks(rotation=\"vertical\")\n", - "plt.show()" - ] - }, - { - "cell_type": "code", - "execution_count": null, - "metadata": {}, - "outputs": [], - "source": [ - "# Define Rydberg state observable\n", - "obs = qutip.basis(256 * 2, 0).proj()\n", - "plt.figure(figsize=(6, 6))\n", - "k = results.expect([obs])[0]\n", - "\n", - "plt.plot(results._sim_times, k)\n", - "plt.xlabel(r\"Time ($\\mu s$)\")\n", - "plt.ylabel(r\"Population in $|r\\rangle$\")\n", - "plt.show()" - ] - }, - { - "cell_type": "code", - "execution_count": null, - "metadata": {}, - "outputs": [], - "source": [ - "import qse.qbits\n", - "\n", - "L = 3\n", - "nqbits = L * L\n", - "qsqr = qse.Qbits(\n", - " positions=np.array(\n", - " [\n", - " [0, 0, 0],\n", - " [10, 0, 0],\n", - " [20, 0, 0],\n", - " [0, 10, 0],\n", - " [10, 10, 0],\n", - " [20, 10, 0],\n", - " [0, 20, 0],\n", - " [10, 20, 0],\n", - " [20, 20, 0],\n", - " ]\n", - " )\n", - ")\n", - "\n", - "\n", - "Omega = 1.2 # Amplitude\n", - "delta = 2.0 # detuning\n", - "C6 = 5420158.53 # interaction scale\n", - "\n", - "qsqr.draw()" - ] - }, - { - "cell_type": "code", - "execution_count": null, - "metadata": {}, - "outputs": [], - "source": [ - "H1_terms = [qat.core.Term(0.5, \"X\", [i]) for i in range(qsqr.nqbits)]\n", - "H1 = qat.core.Observable(nqbits, pauli_terms=H1_terms)\n", - "\n", - "H2_terms = [qat.core.Term(-0.5, \"Z\", [i]) for i in range(qsqr.nqbits)]\n", - "H2 = qat.core.Observable(nqbits, pauli_terms=H2_terms)\n", - "\n", - "rij = qsqr.get_all_distances()\n", - "\n", - "\n", - "def occ_op(nqbits, qi):\n", - " ti = qat.core.Term(1.0, \"Z\", [qi])\n", - " return (1 + qat.core.Observable(nqbits, pauli_terms=[ti])) / 2\n", - "\n", - "\n", - "#\n", - "H3 = 0\n", - "\n", - "for i in range(nqbits):\n", - " for j in range(i + 1, nqbits):\n", - " H3 += (C6 / rij[i, j] ** 6) * occ_op(nqbits, i) * occ_op(nqbits, j)" - ] - }, - { - "cell_type": "code", - "execution_count": null, - "metadata": {}, - "outputs": [], - "source": [ - "from qat.core.variables import Variable, heaviside\n", - "from qat.core import Observable\n", - "\n", - "\n", - "def create_waveform(times, values):\n", - " \"\"\"\n", - " A Funnction allowing us to concatenate many lines, limited by heavisides,\n", - " thus creating a continuous, kinked line.\n", - " \"\"\"\n", - " assert len(times) == len(values)\n", - " # Store the final line as an ArithExpression\n", - " arith_expr = 0\n", - " t_var = Variable(\"t\")\n", - " # A line between each two points\n", - " for entry_i in range(1, len(times)):\n", - " # Create ax + b by calculating the slope and the offset\n", - " a = (values[entry_i] - values[entry_i - 1]) / (\n", - " times[entry_i] - times[entry_i - 1]\n", - " )\n", - " b = (\n", - " (values[entry_i] + values[entry_i - 1])\n", - " - a * (times[entry_i] + times[entry_i - 1])\n", - " ) / 2\n", - " respective_line = a * t_var + b\n", - " arith_expr += (\n", - " heaviside(t_var, times[entry_i - 1], times[entry_i]) * respective_line\n", - " )\n", - " return arith_expr\n", - "\n", - "\n", - "#\n", - "Omega_max = 2.0 * 2 * np.pi\n", - "U = Omega_max / 2.0\n", - "\n", - "delta_0 = -6 * U\n", - "delta_f = 2 * U\n", - "\n", - "t_rise = 0.252\n", - "t_fall = 0.500\n", - "t_sweep = ((delta_f - delta_0) / (2 * np.pi * 10) * 1000) * (10**-3)\n", - "\n", - "\n", - "# The waveform of Omega - for the sigma_x terms\n", - "omega_values = [10.0, 0, Omega_max, 0]\n", - "times_omega = [0, t_rise, t_rise + t_sweep, t_rise + t_sweep + t_fall]\n", - "\n", - "\n", - "omega_waveform = create_waveform(times_omega, omega_values)\n", - "# The waveform of the detuning Delta - for the 'n' terms\n", - "delta_start = -2 * np.pi * 13\n", - "delta_end = 2 * np.pi * 11 # R_blockade is taken as 7.5\n", - "delta_values = [0, 0, delta_f, delta_f]\n", - "delta_waveform = create_waveform(times_omega, delta_values)" - ] - }, - { - "cell_type": "code", - "execution_count": null, - "metadata": {}, - "outputs": [], - "source": [ - "from qat.core import Observable\n", - "\n", - "Hamiltonian = Observable(\n", - " [\n", - " (omega_waveform, H1),\n", - " (delta_waveform, H2),\n", - " ]\n", - ")\n", - "\n", - "schedule = Schedule(\n", - " drive=[\n", - " (omega_waveform, H1),\n", - " (delta_waveform, H2),\n", - " ],\n", - " tmax=t_rise + t_sweep + t_fall,\n", - ")" - ] - }, - { - "cell_type": "code", - "execution_count": null, - "metadata": {}, - "outputs": [], - "source": [ - "schedule.display()" - ] - }, - { - "cell_type": "code", - "execution_count": null, - "metadata": {}, - "outputs": [], - "source": [ - "matrixm = (\n", - " 10 * H1.to_matrix(sparse=False)\n", - " + 0 * H2.to_matrix(sparse=False)\n", - " + H3.to_matrix(sparse=False)\n", - ")" - ] - }, - { - "cell_type": "code", - "execution_count": null, - "metadata": {}, - "outputs": [], - "source": [ - "H3.to_matrix(sparse=False)" - ] - }, - { - "cell_type": "code", - "execution_count": null, - "metadata": {}, - "outputs": [], - "source": [ - "matrixp = sim.get_hamiltonian(0).get_data().toarray()\n", - "plt.imshow(matrixp.real)\n", - "print(matrixp)\n", - "np.savetxt(\"matrix-p.dat\", matrixp.real)\n", - "np.all(matrixp.imag == 0)" - ] - }, - { - "cell_type": "code", - "execution_count": null, - "metadata": {}, - "outputs": [], - "source": [ - "plt.imshow(matrixm.real)\n", - "print(matrixm)\n", - "np.savetxt(\"matrix-m.dat\", matrixm.real)\n", - "np.all(matrixm.imag == 0)" - ] - }, - { - "cell_type": "code", - "execution_count": null, - "metadata": {}, - "outputs": [], - "source": [ - "np.savetxt(\"matrix-q.dat\", matrixm.real)\n", - "np.savetxt(\"matrix-p.dat\", matrixp.real)" - ] - }, - { - "cell_type": "code", - "execution_count": null, - "metadata": {}, - "outputs": [], - "source": [ - "p = np.loadtxt(\"matrix-p.dat\")\n", - "q = np.loadtxt(\"matrix-q.dat\")\n", - "plt.imshow(p == q)\n", - "\n", - "pd = p.diagonal()\n", - "qd = q.diagonal()\n", - "print(p / q)" - ] - }, - { - "cell_type": "code", - "execution_count": null, - "metadata": {}, - "outputs": [], - "source": [ - "print(pd / qd)" - ] - }, - { - "cell_type": "code", - "execution_count": null, - "metadata": {}, - "outputs": [], - "source": [ - "print(qd)" - ] - }, - { - "cell_type": "code", - "execution_count": null, - "metadata": {}, - "outputs": [], - "source": [] - }, - { - "cell_type": "markdown", - "metadata": {}, - "source": [ - "## Testing more atoms with fixed amplitude and detuning Pauli term fixed checking interaction term" - ] - }, - { - "cell_type": "code", - "execution_count": null, - "metadata": {}, - "outputs": [], - "source": [ - "Omega_max = 2.0 * 2 * np.pi\n", - "U = Omega_max / 2.0\n", - "R_interatomic = MockDevice.rydberg_blockade_radius(U)\n", - "reg = Register.from_coordinates(\n", - " [[0, 0], [10, 0], [20, 0], [0, 10], [10, 10], [20, 10], [0, 20], [10, 20], [20, 20]]\n", - ")\n", - "print(f\"Interatomic Radius is: {R_interatomic}µm.\")\n", - "reg.draw()" - ] - }, - { - "cell_type": "code", - "execution_count": null, - "metadata": {}, - "outputs": [], - "source": [ - "delta_0 = -6 * U\n", - "delta_f = 2 * U\n", - "t_rise = 252\n", - "t_fall = 500\n", - "t_sweep = (delta_f - delta_0) / (2 * np.pi * 10) * 1000\n", - "rise = Pulse.ConstantAmplitude(10, RampWaveform(t_rise, 10.0, 0.0), 0)\n", - "sweep = Pulse.ConstantAmplitude(10, RampWaveform(t_sweep, delta_0, delta_f), 0)\n", - "fall = Pulse.ConstantDetuning(RampWaveform(t_fall, Omega_max, 0.0), delta_f, 0.0)\n", - "seq1 = Sequence(reg, MockDevice)\n", - "seq1.declare_channel(\"ising\", \"rydberg_global\")\n", - "\n", - "seq1.add(rise, \"ising\")\n", - "seq1.add(sweep, \"ising\")\n", - "seq1.add(fall, \"ising\")\n", - "\n", - "seq1.draw()" - ] - }, - { - "cell_type": "code", - "execution_count": null, - "metadata": {}, - "outputs": [], - "source": [ - "sim = QutipEmulator.from_sequence(seq1)" - ] - }, - { - "cell_type": "code", - "execution_count": null, - "metadata": {}, - "outputs": [], - "source": [ - "results = sim.run(progress_bar=True)" - ] - }, - { - "cell_type": "code", - "execution_count": null, - "metadata": {}, - "outputs": [], - "source": [ - "import matplotlib.pyplot as plt\n", - "\n", - "count = results.sample_final_state()\n", - "\n", - "most_freq = {k: v for k, v in count.items() if v > 10}\n", - "plt.bar(list(most_freq.keys()), list(most_freq.values()))\n", - "plt.xticks(rotation=\"vertical\")\n", - "plt.show()" - ] - }, - { - "cell_type": "code", - "execution_count": null, - "metadata": {}, - "outputs": [], - "source": [ - "# Define Rydberg state observable\n", - "obs = qutip.basis(256 * 2, 0).proj()\n", - "plt.figure(figsize=(6, 6))\n", - "k = results.expect([obs])[0]\n", - "\n", - "plt.plot(results._sim_times, k)\n", - "plt.xlabel(r\"Time ($\\mu s$)\")\n", - "plt.ylabel(r\"Population in $|r\\rangle$\")\n", - "plt.show()" - ] - }, - { - "cell_type": "code", - "execution_count": null, - "metadata": {}, - "outputs": [], - "source": [ - "import qse.qbits\n", - "\n", - "L = 3\n", - "nqbits = L * L\n", - "qsqr = qse.Qbits(\n", - " positions=np.array(\n", - " [\n", - " [0, 0, 0],\n", - " [10, 0, 0],\n", - " [20, 0, 0],\n", - " [0, 10, 0],\n", - " [10, 10, 0],\n", - " [20, 10, 0],\n", - " [0, 20, 0],\n", - " [10, 20, 0],\n", - " [20, 20, 0],\n", - " ]\n", - " )\n", - ")\n", - "\n", - "\n", - "Omega = 1.2 # Amplitude\n", - "delta = 2.0 # detuning\n", - "C6 = 5420158.53 # interaction scale\n", - "\n", - "qsqr.draw()" - ] - }, - { - "cell_type": "code", - "execution_count": null, - "metadata": {}, - "outputs": [], - "source": [ - "def occ_op(nqbits, qi):\n", - " ti = qat.core.Term(1.0, \"Z\", [qi])\n", - " return (1 + qat.core.Observable(nqbits, pauli_terms=[ti])) / 2\n", - "\n", - "\n", - "#\n", - "H1_terms = [qat.core.Term(0.5, \"X\", [i]) for i in range(qsqr.nqbits)]\n", - "H1 = qat.core.Observable(nqbits, pauli_terms=H1_terms)\n", - "\n", - "# H2_terms = [qat.core.Term(-0.5, \"Z\", [i])+qat.core.Term(-0.5,\"I\",[i]) for i in range(qsqr.nqbits)]\n", - "# # H2_terms_Z = [qat.core.Term(-0.5, \"Z\", [i]) for i in range(qsqr.nqbits)]\n", - "# H2 = qat.core.Observable(nqbits, pauli_terms=H2_terms)\n", - "H2 = 0\n", - "for i in range(qsqr.nqbits):\n", - " H2 += occ_op(qsqr.nqbits, i)\n", - "H2 = H2 * (-1)\n", - "rij = qsqr.get_all_distances()\n", - "\n", - "\n", - "H3 = 0\n", - "\n", - "for i in range(nqbits):\n", - " for j in range(i + 1, nqbits):\n", - " H3 += (C6 / rij[i, j] ** 6) * occ_op(nqbits, i) * occ_op(nqbits, j)" - ] - }, - { - "cell_type": "code", - "execution_count": null, - "metadata": {}, - "outputs": [], - "source": [ - "from qat.core.variables import Variable, heaviside\n", - "from qat.core import Observable\n", - "\n", - "\n", - "def create_waveform(times, values):\n", - " \"\"\"\n", - " A Funnction allowing us to concatenate many lines, limited by heavisides,\n", - " thus creating a continuous, kinked line.\n", - " \"\"\"\n", - " assert len(times) == len(values)\n", - " # Store the final line as an ArithExpression\n", - " arith_expr = 0\n", - " t_var = Variable(\"t\")\n", - " # A line between each two points\n", - " for entry_i in range(1, len(times)):\n", - " # Create ax + b by calculating the slope and the offset\n", - " a = (values[entry_i] - values[entry_i - 1]) / (\n", - " times[entry_i] - times[entry_i - 1]\n", - " )\n", - " b = (\n", - " (values[entry_i] + values[entry_i - 1])\n", - " - a * (times[entry_i] + times[entry_i - 1])\n", - " ) / 2\n", - " respective_line = a * t_var + b\n", - " arith_expr += (\n", - " heaviside(t_var, times[entry_i - 1], times[entry_i]) * respective_line\n", - " )\n", - " return arith_expr\n", - "\n", - "\n", - "#\n", - "Omega_max = 2.0 * 2 * np.pi\n", - "U = Omega_max / 2.0\n", - "\n", - "delta_0 = -6 * U\n", - "delta_f = 2 * U\n", - "\n", - "t_rise = 0.252\n", - "t_fall = 0.500\n", - "t_sweep = ((delta_f - delta_0) / (2 * np.pi * 10) * 1000) * (10**-3)\n", - "\n", - "\n", - "# The waveform of Omega - for the sigma_x terms\n", - "omega_values = [10.0, 0, Omega_max, 0]\n", - "times_omega = [0, t_rise, t_rise + t_sweep, t_rise + t_sweep + t_fall]\n", - "\n", - "\n", - "omega_waveform = create_waveform(times_omega, omega_values)\n", - "# The waveform of the detuning Delta - for the 'n' terms\n", - "delta_start = -2 * np.pi * 13\n", - "delta_end = 2 * np.pi * 11 # R_blockade is taken as 7.5\n", - "delta_values = [10, 0, delta_f, delta_f]\n", - "delta_waveform = create_waveform(times_omega, delta_values)" - ] - }, - { - "cell_type": "code", - "execution_count": null, - "metadata": {}, - "outputs": [], - "source": [ - "from qat.core import Observable\n", - "\n", - "Hamiltonian = Observable(\n", - " [\n", - " (omega_waveform, H1),\n", - " (delta_waveform, H2),\n", - " ]\n", - ")\n", - "\n", - "schedule = Schedule(\n", - " drive=[\n", - " (omega_waveform, H1),\n", - " (delta_waveform, H2),\n", - " ],\n", - " tmax=t_rise + t_sweep + t_fall,\n", - ")" - ] - }, - { - "cell_type": "code", - "execution_count": null, - "metadata": {}, - "outputs": [], - "source": [ - "schedule.display()" - ] - }, - { - "cell_type": "code", - "execution_count": null, - "metadata": {}, - "outputs": [], - "source": [ - "matrixm = (\n", - " 10 * H1.to_matrix(sparse=False)\n", - " + 10 * H2.to_matrix(sparse=False)\n", - " + H3.to_matrix(sparse=False)\n", - ")" - ] - }, - { - "cell_type": "code", - "execution_count": null, - "metadata": {}, - "outputs": [], - "source": [] - }, - { - "cell_type": "code", - "execution_count": null, - "metadata": {}, - "outputs": [], - "source": [ - "H2.to_matrix(sparse=False)" - ] - }, - { - "cell_type": "code", - "execution_count": null, - "metadata": {}, - "outputs": [], - "source": [ - "matrixp = sim.get_hamiltonian(0).get_data().toarray()\n", - "plt.imshow(matrixp.real)\n", - "print(matrixp)\n", - "np.savetxt(\"matrix-p.dat\", matrixp.real)\n", - "np.all(matrixp.imag == 0)" - ] - }, - { - "cell_type": "code", - "execution_count": null, - "metadata": {}, - "outputs": [], - "source": [ - "plt.imshow(matrixm.real)\n", - "print(matrixm)\n", - "np.savetxt(\"matrix-m.dat\", matrixm.real)\n", - "np.all(matrixm.imag == 0)" - ] - }, - { - "cell_type": "code", - "execution_count": null, - "metadata": {}, - "outputs": [], - "source": [ - "np.savetxt(\"matrix-q.dat\", matrixm.real)\n", - "np.savetxt(\"matrix-p.dat\", matrixp.real)" - ] - }, - { - "cell_type": "code", - "execution_count": null, - "metadata": {}, - "outputs": [], - "source": [ - "p = np.loadtxt(\"matrix-p.dat\")\n", - "q = np.loadtxt(\"matrix-q.dat\")\n", - "plt.imshow(p == q)\n", - "\n", - "pd = p.diagonal()\n", - "qd = q.diagonal()\n", - "print(p / q)" - ] - }, - { - "cell_type": "code", - "execution_count": null, - "metadata": {}, - "outputs": [], - "source": [ - "print(pd / qd)" - ] - }, - { - "cell_type": "code", - "execution_count": null, - "metadata": {}, - "outputs": [], - "source": [ - "print(q)" - ] - }, - { - "cell_type": "code", - "execution_count": null, - "metadata": {}, - "outputs": [], - "source": [ - "print(p)" - ] - }, - { - "cell_type": "code", - "execution_count": null, - "metadata": {}, - "outputs": [], - "source": [ - "def occ_op(nqbits, qi):\n", - " ti = qat.core.Term(1.0, \"Z\", [qi])\n", - " return (1 + qat.core.Observable(nqbits, pauli_terms=[ti])) / 2" - ] - }, - { - "cell_type": "code", - "execution_count": null, - "metadata": {}, - "outputs": [], - "source": [ - "qubits = qse.Qbits(positions=np.array([[0, 0, 0]]))\n", - "H2 = 0\n", - "for i in range(qubits.nqbits):\n", - " H2 += occ_op(qubits.nqbits, i)\n", - "H2 = H2 * (-1)\n", - "rij = qubits.get_all_distances()" - ] - }, - { - "cell_type": "code", - "execution_count": null, - "metadata": {}, - "outputs": [], - "source": [ - "H2.to_matrix(sparse=False)" - ] - }, - { - "cell_type": "code", - "execution_count": null, - "metadata": {}, - "outputs": [], - "source": [] - }, - { - "cell_type": "markdown", - "metadata": {}, - "source": [ - "## Version" - ] - }, - { - "cell_type": "code", - "execution_count": null, - "metadata": {}, - "outputs": [], - "source": [ - "qse.utils.print_environment()" - ] - } - ], - "metadata": { - "kernelspec": { - "display_name": "qse", - "language": "python", - "name": "python3" - }, - "language_info": { - "codemirror_mode": { - "name": "ipython", - "version": 3 - }, - "file_extension": ".py", - "mimetype": "text/x-python", - "name": "python", - "nbconvert_exporter": "python", - "pygments_lexer": "ipython3", - "version": "3.11.11" - } - }, - "nbformat": 4, - "nbformat_minor": 2 -} diff --git a/hooks/pre-push b/hooks/pre-push index d7271286..541a7327 100755 --- a/hooks/pre-push +++ b/hooks/pre-push @@ -52,23 +52,17 @@ done #!/bin/bash -echo "Running isort and black checks before push..." +echo "Running before push..." -isort . --check --diff +uv run ruff check . if [ $? -ne 0 ]; then - echo "isort failed. Please fix the import order." + echo "ruff check failed. Please check the errors." exit 1 fi -black . --check --diff -if [ $? -ne 0 ]; then - echo "black failed. Please format your code." - exit 1 -fi - -flake8 qse +uv run ruff format --check . if [ $? -ne 0 ]; then - echo "flake8 failed. Please check the errors." + echo "uv ruff format failed. Please check the errors." exit 1 fi diff --git a/pyproject.toml b/pyproject.toml index 83ab0e07..b9ef4b75 100644 --- a/pyproject.toml +++ b/pyproject.toml @@ -12,7 +12,7 @@ authors = [ {name = "James Nelson", email = "james.nelson@ichec.ie"}, {name = "Sherry Blair", email = "sherry.blair@ichec.ie"}, {name = "Pablo Suárez Vieites", email = "pablo.suarez@ichec.ie"}, - ] +] version = "1.1.14" requires-python = ">=3.10" dependencies = [ @@ -20,12 +20,17 @@ dependencies = [ "matplotlib", "qutip", ] +keywords = ["Quantum Simulation", "Analog Quantum Computing", "Lattice Models", "Python"] +classifiers = ["Programming Language :: Python",] [tool.setuptools.package-dir] qse = "qse" [project.urls] homepage = "https://github.com/ichec/qse" +Documentation = "https://ichec.github.io/qse" +Repository = "https://github.com/ICHEC/qse.git" +Issues = "https://github.com/ICHEC/qse/issues" [project.optional-dependencies] dev = [ @@ -33,11 +38,9 @@ dev = [ "pytest-cov", "pytest-sugar", "ipykernel", - "flake8", - "black[jupyter]", - "isort", - "Flake8-pyproject", - "pulser", # required for tests + "ruff", # Replaced flake8, black, isort, Flake8-pyproject + "pulser", # required for tests + "pre-commit", ] pulser = ["pulser"] myqlm = ["myqlm"] @@ -52,35 +55,55 @@ docs = [ "ipykernel", "ipywidgets", "ipympl", - "pulser", # required for creating the docs + "pulser", # required for creating the docs "qiskit" ] -[tool.black] -line-length = 88 +[dependency-groups] +dev = [ + "ipykernel>=7.2.0", + "ipympl>=0.10.0", + "ipywidgets>=8.1.8", + "jupyter-book>=1.0.0,<2.0.0", + "jupyter-sphinx>=0.5.3", + "myst-nb>=1.1.0", + "pre-commit>=4.6.0", + "pulser>=1.8.0", + "pytest>=9.0.3", + "pytest-cov>=7.1.0", + "pytest-sugar>=1.1.1", + "qiskit>=2.4.1", + "ruff>=0.15.12", + "sphinx-autoapi>=3.0.0", + "sphinx-copybutton>=0.5.2", + "sphinx-togglebutton>=0.4.5", + "sphinxcontrib-mermaid>=2.0.2", +] [tool.mypy] ignore_missing_imports = true no_implicit_optional = false enable_error_code = 'ignore-without-code' -[tool.isort] -profile = "black" - [tool.pytest.ini_options] testpaths = "tests" addopts = "--cov=qse" -[tool.flake8] -count = true -# Recommend matching the black line length (default 88) -# rather than using the flake8 default of 79: -max-line-length = 88 -ignore = [ - "E203", # Whitespace before ':' , see https://github.com/PyCQA/pycodestyle/issues/373 - "E741", # Do not use variables named 'I', 'O', or 'l', may remove in future - "W503", # Line break occurred before a binary operator -] -statistics = true -show-source = true -# +# --- New Ruff Configuration --- +[tool.ruff] +output-format = "grouped" +line-length = 88 +# This allows Ruff to format and lint Jupyter Notebooks just like black[jupyter] did +extend-include = ["*.ipynb"] +exclude = ["build", "dist", ".git", ".venv",] + +[tool.ruff.lint] +# E: pycodestyle (flake8 default) +# F: pyflakes (flake8 default) +# I: isort +select = ["E", "F", "I"] + +ignore = ["E741", "E731"] +# Do not use variables named 'I', 'O', or 'l' +# Note: Ruff inherently ignores E203 and W503 as they conflict with its formatter. + diff --git a/qse/qbits.py b/qse/qbits.py index 91d9094b..fcccb450 100644 --- a/qse/qbits.py +++ b/qse/qbits.py @@ -491,7 +491,7 @@ def __imul__(self, m): for x, vec in zip(m, self.cell.lattice_vectors): if x != 1 and not vec.any(): - raise ValueError("Cannot repeat along undefined lattice " "vector") + raise ValueError("Cannot repeat along undefined lattice vector") fac = np.prod(m) n = len(self) @@ -1161,9 +1161,9 @@ def _get_states(self): def _set_states(self, sts): """Set states directly, bypassing constraints.""" - self.arrays["states"][ - : - ] = sts # (sts.T / np.linalg.norm(sts, axis=1)).T # need to be normalized + self.arrays["states"][:] = ( + sts # (sts.T / np.linalg.norm(sts, axis=1)).T # need to be normalized + ) # below is equivalent to defining @property states states = property( diff --git a/scripts/pre-push.py b/scripts/pre-push.py new file mode 100644 index 00000000..aa48a2ae --- /dev/null +++ b/scripts/pre-push.py @@ -0,0 +1,59 @@ +import pathlib +import shutil +import subprocess +import sys + +# --- CONFIGURATION --- +SRC = [ + ".", +] # Only check your new Python code + + +def get_uv_prefix(): + """ + Determines if we should prefix commands with 'uv run'. + Checks if 'uv' is installed and if a 'uv.lock' file exists. + """ + has_uv = shutil.which("uv") is not None + is_uv_project = pathlib.Path("uv.lock").exists() + + if has_uv and is_uv_project: + return "uv run " + return "" + + +def run_check(name, command): + """ + Detects environment and runs the appropriate command. + If it fails, the whole script exits. + """ + prefix = get_uv_prefix() + full_command = f"{prefix}{command}" + + print(f"---🔍 Running {name} ---") + print(f"Executing: {full_command}") + + result = subprocess.run(command, shell=True) + + if result.returncode != 0: + print(f"❌ {name} failed. Push aborted.") + sys.exit(1) + print(f"✅ {name} passed.") + + +def main(): + # Define the base commands without the 'uv run' part + + # Step 1: Ruff Check + run_check("Ruff Check:", f"ruff check {' '.join(SRC)} --output-format grouped") + + # Step 2: Ruff Format + run_check("Ruff Format:", f"ruff format --check {' '.join(SRC)}") + + # Step 3: Run your tests (uncomment when ready) + # run_check("Unit Tests", "python tests/simple-test.py") + print("\n🚀 All checks passed!") + + +if __name__ == "__main__": + main() diff --git a/uv.lock b/uv.lock new file mode 100644 index 00000000..8d23dc2b --- /dev/null +++ b/uv.lock @@ -0,0 +1,5342 @@ +version = 1 +revision = 3 +requires-python = ">=3.10" +resolution-markers = [ + "python_full_version >= '3.13'", + "python_full_version == '3.12.*'", + "python_full_version == '3.11.*'", + "python_full_version < '3.11'", +] + +[[package]] +name = "accessible-pygments" +version = "0.0.5" +source = { registry = "https://pypi.org/simple" } +dependencies = [ 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