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