Timeline for Complexity of MD simulations
Current License: CC BY-SA 3.0
6 events
| when toggle format | what | by | license | comment | |
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| Dec 15, 2011 at 19:14 | comment | added | aeismail | It's a little more complicated than that, isn't it? It should be O(N^2) if you're studying systems without cutoffs; O(N log N) if you're doing uncharged systems with a cutoff or charged systems with mesh-based approaches. | |
| Nov 30, 2011 at 20:42 | history | edited | Brian Diggs | CC BY-SA 3.0 |
Convert to MathJax
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| Nov 30, 2011 at 12:28 | vote | accept | Daniel Standage | ||
| Nov 29, 2011 at 22:51 | comment | added | Brian Diggs |
@KeithCallenberg That is true; I didn't mention it since the question didn't ask that. It might be more complete to say that it scales as O(n^2)O(t) where n is the size (number of particles) and t is the number of time steps (length of time simulated divided by the size of each time step).
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| Nov 29, 2011 at 22:44 | comment | added | Keith Callenberg | Additionally, complexity in terms of simulated system size typically scales with O(n^2) when not using modified electrostatics like PME. | |
| Nov 29, 2011 at 21:33 | history | answered | Brian Diggs | CC BY-SA 3.0 |