The example input script sets up a simple FCC crystal using the Lennard-Jones potential. The script sets up the HMA compute to calculate the energy, pressure and heat capacity. The output columns are: 1: timestep 2: measured temperature 3: potential energy 4: HMA potential energy 5: pressure 6: HMA pressure 7: HMA heat capacity contribution Averages of the potential energy (#3 and #4) agree although #4 (HMA) is more precise. Averages of the pressure (#5 and #6) agree once the ideal gas contribution is included; #6 (HMA) is more precise. The heat capacity can be computed from colume #3 (conventional) as Cv = Var(#3)/(k T^2) With HMA, the heat capacity can be computed from column #4 and #7 as Cv = #7 + Var(#4)/(k T^2)