Template:MDCOMBINATIONS: Difference between revisions
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| style="text-align: center;"| {{TAG|ISIF}}=3 | | style="text-align: center;"| {{TAG|ISIF}}=3 | ||
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| style="text-align: center;"|[[NpH ensemble|NpH]] || colspan="4" style="text-align: center;"| {{TAG|MDALGO}}=3, | | style="text-align: center;"|[[NpH ensemble|NpH]] || colspan="4" style="text-align: center;"| {{TAG|MDALGO}}=3, {{TAG|ISIF}}=3, {{TAG|LANGEVIN_GAMMA_L}}=0.0 | ||
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Revision as of 17:55, 4 July 2019
Thermostat Ensemble Andersen Nose-Hoover Langevin Multiple Andersen NVE MDALGO=1, ANDERSEN_PROB=0.0 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 NpH MDALGO=3, ISIF=3, LANGEVIN_GAMMA_L=0.0