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MD-Bench
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3.4
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2 Commits
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Rafael Ravedutti
022aa75c75
Add cutoff radius and skin as parameters of simulation
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Signed-off-by: Rafael Ravedutti <rafaelravedutti@gmail.com>
2022-02-28 22:34:42 +01:00
Rafael Ravedutti
aa0f4048d0
Rename default directory to lammps and reorganize gromacs variant steps
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Signed-off-by: Rafael Ravedutti <rafaelravedutti@gmail.com>
2022-01-25 21:00:11 +01:00