pybinding v0.7.2: a Python package for tight-binding calculations

Pybinding is a Python package for numerical tight-binding calculations in solid state physics. The main features include:

• Declarative model construction - The user just needs to describe what the model should be, but not how to build it. Pybinding will take care of the numerical details of building the Hamiltonian matrix so users can concentrate on the physics: the quantum properties of the model.

• Fast compute - Pybinding's implementation of the kernel polynomial method allows for very fast calculation of the Green's function of the Hamiltonian. Exact diagonalization is also available through the use of scipy's eigensolvers. The framework is very flexible and allows the addition of user-defined computation routines.

• Result analysis and visualization - The package contains utility functions for post-processing the raw result data. The included plotting functions are tailored for tight-binding problems to help visualize the model structure and make sense of the results.

The code interface is written in Python with the aim to be as user-friendly and flexible as possible. Under the hood, C++11 is used to accelerate demanding tasks to deliver high performance with low memory usage.

See the documentation for more details: http://docs.pybinding.site/

The project is also available on GitHub: https://github.com/dean0x7d/pybinding