qm-sim 0.0.2

Quantum mechanics simulation library

QM_sim

Python library for simulation of quantum mechanical systems.

Features

• 1D and 2D systems
• Choice of finite difference scheme
• Stationary and temporal solutions

Planned features

• Boundary conditions
• 3D systems
• Transfer matrix for transmission ect.
• Testing

Installation

pip install qm-sim

Usage

Examples are provided in the examples/-folder. These are enumerated with increasing level of simulation complexity.

Contribution

To contribute, please open a pull request to the dev-branch on GitHub.

The following is an example of how to set up VS Code for development, adapt to your IDE of choice.

TL;DR:

• pip install -e . to install in an editable state
• pip install . to (re)compile the C++ (subsequent python file edits will not be recognized before another reinstall)

Requirements

• VS Code
  • Python extension
• Python 3.10 or above

Setup

1. Clone the repo recursively and open the repo in VS Code. If not cloned recursively, initialize the submodules with git submodule update --init
2. Press f1, and run Python: Create Environment. Select .venv
3. Open a new terminal, which should automatically use the virtual environment. If not, run .venv\Scripts\activate on Windows, or source .venv/bin/activate on Unix
4. In the same terminal, run pip install -e .[test] to install the current directory in an editable state, and the testing utility Pytest
5. To run tests, press f1 and run Python: Configure Tests. Choose pytest. Run tests in the testing menu