| 167 |
|
\begin{figure} |
| 168 |
|
\centering |
| 169 |
|
\includegraphics[width = \linewidth]{./ewaldProgression.pdf} |
| 170 |
< |
\caption{The change in the application of the Ewald sum with |
| 171 |
< |
increasing computational power. A:~Initially, only small systems could |
| 172 |
< |
be studied, and the Ewald sum replicated the simulation box to |
| 173 |
< |
convergence. B:~Now, much larger systems of charges can be |
| 174 |
< |
investigated with fixed-distance cutoffs.} |
| 170 |
> |
\caption{The change in the need for the Ewald sum with |
| 171 |
> |
increasing computational power. A:~Initially, only small systems |
| 172 |
> |
could be studied, and the Ewald sum replicated the simulation box to |
| 173 |
> |
convergence. B:~Now, radial cutoff methods should be able to reach |
| 174 |
> |
convergence for the larger systems of charges that are common today.} |
| 175 |
|
\label{fig:ewaldTime} |
| 176 |
|
\end{figure} |
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|
|
