ObservableType

class openff.evaluator.utils.observables.ObservableType(value)[source]

An enumeration of the common observables which may be extracted from molecular simulations (or simulation data) and stored in an ObservableFrame.

__init__()

Initialize self. See help(type(self)) for accurate signature.

Attributes

Density

Enthalpy

KineticEnergy

PotentialEnergy

ReducedPotential

Temperature

TotalEnergy

Volume