Timothy Berkelbach

The parent directory of pyrho must be in $PYTHONPATH, enabling import pyrho.

• README.md

• ehrenfest/

  Module for classically-sampled, trajectory-based Ehrenfest dynamics

• ham/

  Module for system-bath Hamiltonians

• heom/

  Module for Hierarchical Equations of Motion

• integrate/

  Module for generic RK4-style time-dependent integrators

• lib/

  Module for miscellaneous tools, including physical constants and utility functions

• redfield/

  Module for Redfield and related second-order dynamical perturbation theories in the system-bath coupling strength

• spec/

  Module for spectroscopies, based on any underlying Dynamics class with a Dynamics.propagate() method

• examples/

  Example driver scripts for setting up a Hamiltonian and calculating reduced system dynamics

• Spectroscopy
  • Linear
  • Nonlinear
• NIBA and related polaron-based QMEs
• Exact Harmonic mode(s) in the system Hamiltonian
  • Reaction-coordinate mapping
• HEOM
  • Ohmic-Lorentz (Debye)
  • Pade decomposition
  • Single oscillator
• Ehrenfest
  • Optimization
  • Persistent bath variables in propagate()