API Reference

Modules

thermoextrap	Classes/routines to deal with thermodynamic extrapolation.
thermoextrap.random	Random number generator (random)
thermoextrap.data	Data handlers (data)
thermoextrap.models	General extrapolation/interpolation models (models)
thermoextrap.idealgas	Ideal gas reference (idealgas)
thermoextrap.beta	Inverse temperature (beta) extrapolation (beta)
thermoextrap.volume	Volume extrapolation (volume)
thermoextrap.volume_idealgas	Volume expansion for ideal gas (volume_idealgas)
thermoextrap.recursive_interp	Recursive interpolation (recursive_interp)
thermoextrap.adaptive_interp	Adaptive interpolation (adaptive_interp)
thermoextrap.lnpi	Inverse temperature expansion of macrostate distribution (lnpi)
thermoextrap.gpr_active	Modules to apply Gaussian process regression to thermodynamic extrapolation.