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Signed-off-by: Rafael Ravedutti <rafaelravedutti@gmail.com>
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Rafael Ravedutti 2022-09-29 12:52:54 +02:00
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@ -61,3 +61,17 @@ The default behavior and other options can be changed using the following parame
--vtk <string>: VTK file for visualization
--xtc <string>: XTC file for visualization
```
## Examples
## Citations
R. Ravedutti Lucio Machado, J. Eitzinger, H. Köstler, and G. Wellein: MD-Bench: A generic proxy-app toolbox for state-of-the-art molecular dynamics algorithms. Accepted for PPAM 2022, the 14th International Conference on Parallel Processing and Applied Mathematics, Gdansk, Poland, September 11-14, 2022. PPAM 2022 Best Paper Award. Preprint: arXiv:2207.13094
## Credits
MD-Bench is developed by the Erlangen National High Performance Computing Center (NHR@FAU) at the University of Erlangen-NÃrnberg.
## License
LGPL-3.0