ThermoFlow

• Release: 0.2.2 (Oct 27, 2024)

• Code: https://github.com/gecrooks/thermoflow/

• Docs: https://gecrooks.github.io/thermoflow/

Contents:

• Free Energy Calculations
  • Free Energy Estimates
  • Free Energy Estimates for symmetric protocols
• Correlated Time Series
  • Equilibration and decorrelation
  • Correlation functions
  • Statistical inefficiency
  • Kirkwood coefficients
  • Generation
• Distributions of Work
  • gaussian_work()
  • gamma_work()
  • exponential_work()
  • two_point_work()

• Index