Template:MDCOMBINATIONS

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Revision as of 14:04, 13 June 2019 by Karsai (talk | contribs)
Thermostat
Ensemble Andersen Nose-Hoover Langevin Multiple Andersen
NVE MDALGO=1, ANDERSEN_PROB=0.0
or
MDALGO=0, SMASS=-3
NVT MDALGO=1 MDALGO=2 MDALGO=3 MDALGO=13
ISIF=2 ISIF=2 ISIF=2 ISIF=2
NpT not available not available MDALGO=3 not available
ISIF=3
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