events:2018_summer_school:scf_setup
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events:2018_summer_school:scf_setup [2018/06/17 09:34] – [Other parameters] mwatkins | events:2018_summer_school:scf_setup [2018/06/17 09:39] – [Other parameters] mwatkins | ||
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System size affects the efficiency too. You can find larger water boxes in the '' | System size affects the efficiency too. You can find larger water boxes in the '' | ||
Change the CELL parameters and the coordinates of the atoms and see how the methods scale. | Change the CELL parameters and the coordinates of the atoms and see how the methods scale. | ||
+ | You could also explore how the methods scale with number of processors used. | ||
</ | </ | ||
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+ | < | ||
+ | And of course, probably the most important ' |
events/2018_summer_school/scf_setup.txt · Last modified: 2020/08/21 10:15 by 127.0.0.1