eprbase

eprbase is a low-level Python framework for developing custom simulation routines for continuous-wave electron paramagnetic resonance (cwEPR).

The framework provides compatible CPU and GPU implementations. This allows individual parts of a simulation to be executed on either the CPU or GPU and combined as required. Its object-oriented design also enables existing classes to be extended or customized through inheritance.

Important

The Hamiltonian implementation currently supports radical-pair systems only. Support for arbitrary spin systems is planned for future releases.

Contents

• Introduction
  • Overview
  • CPU and GPU implementations
  • Module overview
  • GPU modules
  • Extensibility
• Installation
  • Requirements
  • Installation commands
  • GPU requirements
• API Reference
  • CPU
  • GPU
• Development
  • Development setup
  • Running tests
  • Code formatting and linting
  • Build the documentation
• Contributing
  • Development setup
  • Branches
  • Pull requests
  • Code style
  • GPU contributions
  • Documentation
• License