I. Nezbeda et J. Kolafa, THE USE OF CONTROL QUANTITIES IN COMPUTER-SIMULATION EXPERIMENTS - APPLICATION TO THE EXP-6 POTENTIAL FLUID, Molecular simulation, 14(3), 1995, pp. 153-163
Important quantities, which should be computed in the course of comput
er experiments in order to maintain the control over the development o
f the studied system, are summarized and their properties are discusse
d. The usefulness of these quantities is demonstrated by reference to
published data for the exp-6 potential model. The ease with which it i
s possible to confuse solid and liquid states is illustrated.