libcommute/pycommute: A quantum operator algebra domain-specific language and exact diagonalization toolkit

TL;DR

libcommute is a C++ library with Python bindings that simplifies manipulation of polynomial operators in quantum many-body theory and provides tools for exact diagonalization, emphasizing expressiveness, extensibility, and performance.

Contribution

It introduces a domain-specific language and toolkit for quantum operator algebra and exact diagonalization, with a focus on usability and performance.

Findings

Provides a flexible, expressive library for quantum operator manipulation

Includes Python bindings for rapid prototyping and small-scale problems

Well-documented with unit tests for reliability

Abstract

I present libcommute, a C++11/14/17 template library that implements a domain-specific language for easy manipulating of polynomial operators used in the quantum many-body theory, as well as a software development toolkit for exact diagonalization codes. The library is written with expressiveness, extensibility and performance in mind. It features simple syntax for commonly used abstractions and algorithms, is well documented and covered by unit tests. libcommute is supplemented with Python 3 bindings called pycommute. They are useful for solving small scale diagonalization problems, rapid prototyping and wrapping of high performance libcommute-based computational cores in Python.