Template:MDCOMBINATIONS: Difference between revisions
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| style="text-align: center;"|[[:Category:Ensembles|Ensemble]] || style="text-align: center;"|[[Andersen thermostat|Andersen]] || style="text-align: center;"|[[Nose-Hoover thermostat|Nose-Hoover]] || style="text-align: center;"|[[Langevin thermostat|Langevin]] || style="text-align: center;"|[[MDALGO#MDALGO=13: Multiple Anderson thermostats|Multiple Andersen]] | | style="text-align: center;"|[[:Category:Ensembles|Ensemble]] || style="text-align: center;"|[[Andersen thermostat|Andersen]] || style="text-align: center;"|[[Nose-Hoover thermostat|Nose-Hoover]] || style="text-align: center;"|[[Langevin thermostat|Langevin]] || style="text-align: center;"|[[MDALGO#MDALGO=13: Multiple Anderson thermostats|Multiple Andersen]] | ||
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| style="text-align: center;"|[[NVE ensemble|NVE]] || colspan="4" style="text-align: center;"| {{TAG|MDALGO}}=1, {{TAG|ANDERSEN_PROB}}=0.0 | | style="text-align: center;"|[[NVE ensemble|Microcanonical (NVE)]] || colspan="4" style="text-align: center;"| {{TAG|MDALGO}}=1, {{TAG|ANDERSEN_PROB}}=0.0 | ||
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| rowspan="2" style="text-align: center;"|[[NVT ensemble|NVT]] ||style="text-align: center;"|{{TAG|MDALGO}}=1 ||style="text-align: center;"|{{TAG|MDALGO}}=2 ||style="text-align: center;"| {{TAG|MDALGO}}=3 || style="text-align: center;"|{{TAG|MDALGO}}=13 | | rowspan="2" style="text-align: center;"|[[NVT ensemble|Canonical (NVT)]] ||style="text-align: center;"|{{TAG|MDALGO}}=1 ||style="text-align: center;"|{{TAG|MDALGO}}=2 ||style="text-align: center;"| {{TAG|MDALGO}}=3 || style="text-align: center;"|{{TAG|MDALGO}}=13 | ||
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| style="text-align: center;"|{{TAG|ISIF}}=2 ||style="text-align: center;"|{{TAG|ISIF}}=2 ||style="text-align: center;"|{{TAG|ISIF}}=2 || style="text-align: center;"|{{TAG|ISIF}}=2 | | style="text-align: center;"|{{TAG|ISIF}}=2 ||style="text-align: center;"|{{TAG|ISIF}}=2 ||style="text-align: center;"|{{TAG|ISIF}}=2 || style="text-align: center;"|{{TAG|ISIF}}=2 | ||
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| rowspan="2" style="text-align: center;"|[[NpT ensemble|NpT]] || rowspan="2" style="text-align: center;"|not available || rowspan="2" style="text-align: center;"|not available || style="text-align: center;"|{{TAG|MDALGO}}=3 || rowspan="2" style="text-align: center;"|not available | | rowspan="2" style="text-align: center;"|[[NpT ensemble|Isobaric-isothermal (NpT)]] || rowspan="2" style="text-align: center;"|not available || rowspan="2" style="text-align: center;"|not available || style="text-align: center;"|{{TAG|MDALGO}}=3 || rowspan="2" style="text-align: center;"|not available | ||
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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, {{TAG|ISIF}}=3, {{TAG|LANGEVIN_GAMMA_L}}=0.0 | | style="text-align: center;"|[[NpH ensemble|Isoenthalpic-isobaric (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 12:19, 24 April 2023
Thermostat Ensemble Andersen Nose-Hoover Langevin Multiple Andersen Microcanonical (NVE) MDALGO=1, ANDERSEN_PROB=0.0 Canonical (NVT) MDALGO=1 MDALGO=2 MDALGO=3 MDALGO=13 ISIF=2 ISIF=2 ISIF=2 ISIF=2 Isobaric-isothermal (NpT) not available not available MDALGO=3 not available ISIF=3 Isoenthalpic-isobaric (NpH) MDALGO=3, ISIF=3, LANGEVIN_GAMMA_L=0.0