Class ThermoCollection

A class to store a full set of calculated thermodynamic properties at a
given temperature.

Attributes:

temp (float)
    The temperature at which the properties were calculated.

U  (ThermoProp object, kcal/mol)
    Internal energy

Cv (ThermoProp object, cal/(mol K))
    Heat capacity

S  (ThermoProp object, cal/(mol K))
    Entropy

H  (ThermoProp object, kcal/mol)
    Enthalpy

G  (ThermoProp object, kcal/mol)
    Free energy

UTotal (float, Hartrees)
    Total internal energy (SCFE + ZPE + U)

HTotal (float, Hartrees)
    Total enthalpy (UTotal + pV)

GTotal (float, Hartrees)
    Total Gibbs free energy (HTotal - T*S)