Snapshot of a 16 000 atom monomeric Lennard-Jones fluid at coexistence with cutoff at shown in the plane.
Temperature dependence of the surface tension for a monomeric Lennard-Jones fluid at coexistence with cutoff (square), (triangle), (diamond), and Ewald summation crossover (star; overlaps with cutoff data). Lines are added as a guide to the eye. Reported surface tensions calculated using a cutoff include tail corrections.
Density profiles of a monomeric Lennard-Jones fluid at coexistence with cutoff (dashed) and Ewald summation crossover (solid) at (a) and (b) .
Interfacial properties of Lennard-Jones fluid. Digits between parentheses indicate the uncertainty in the last significant figure.
Interfacial properties of SPC/E water.
Running times for LJ simulations with cutoffs vs Ewald summations.
Running times (ms per time step) for water simulations at using PPPM and Ewald summation for 6600 atoms on four processors.
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