ThermoParams

class ThermoParams

Intensive thermodynamic state variables. Units should be consistent with the particle.

Arguments

• beta: The inverse temperature, \( \beta = \frac{1}{k_B T} \).

• pH: Optional negative of the log-base-10 of the proton concentration.

• chemical_potential: Optional chemical potential for each particle type. Multiple may be provided as comma-separated values in the same order as the particle_type were added in Configuration. The chemical potential must have the inverse units of \(\beta\), and a value is required for grand canonical trials such as TrialAdd.

• pressure: Optional imposed isotropic system pressure.