Template:MDCOMBINATIONS: Difference between revisions

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|  [[:Category:Ensembles|Ensemble]]                || [[Andersen thermostat|Andersen]]        || [[Nose-Hoover thermostat|Nose-Hoover]]      || [[Langevin thermostat|Langevin]]        || [[MDALGO#MDALGO=13: Multiple Anderson thermostats|Multiple Andersen]]  
|  [[:Category:Ensembles|Ensemble]]                || [[Andersen thermostat|Andersen]]        || [[Nose-Hoover thermostat|Nose-Hoover]]      || [[Langevin thermostat|Langevin]]        || [[MDALGO#MDALGO=13: Multiple Anderson thermostats|Multiple Andersen]]  
|-
|-
| rowspan="3" style="text-align: center;"|[[NVE ensemble|NVE]]          ||rowspan="3" colspan="4" style="text-align: center;"| {{TAG|MDALGO}}=1,  {{TAG|ANDERSEN_PROB}}=0.0                          
| rowspan="3" style="text-align: center;"|[[NVE ensemble|NVE]]          ||rowspan="3" colspan="4" style="text-align: center;"| {{TAG|MDALGO}}=1,  {{TAG|ANDERSEN_PROB}}=0.0 |                         
|-
|-
| rowspan="2" style="text-align: center;"|[[NVT ensemble|NVT]]          ||{{TAG|MDALGO}}=1 ||{{TAG|MDALGO}}=2  || {{TAG|MDALGO}}=3 || {{TAG|MDALGO}}=13
| rowspan="2" style="text-align: center;"|[[NVT ensemble|NVT]]          ||{{TAG|MDALGO}}=1 ||{{TAG|MDALGO}}=2  || {{TAG|MDALGO}}=3 || {{TAG|MDALGO}}=13

Revision as of 08:39, 27 June 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