Template:MDCOMBINATIONS: Difference between revisions

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|                          ||colspan="4" style="text-align: center;"| Thermostat  
|                          ||colspan="4" style="text-align: center;"| Thermostat  
|-
|-
|  Ensemble                || [[Andersen thermostat|Andersen]]        || Nose-Hoover      || Langevin        || Multiple Andersen  
|  Ensemble                || [[Andersen thermostat|Andersen]]        || [[Nose-Hoover thermostat|Nose-Hoover]]     || [[Langevin thermostat|Langevin]]         || Multiple Andersen  
|-
|-
| rowspan="3" style="text-align: center;"|[[NVE ensemble|NVE]]          ||colspan="4" style="text-align: center;"| {{TAG|MDALGO}}=1,  {{TAG|ANDERSEN_PROB}}=0.0
| rowspan="3" style="text-align: center;"|[[NVE ensemble|NVE]]          ||colspan="4" style="text-align: center;"| {{TAG|MDALGO}}=1,  {{TAG|ANDERSEN_PROB}}=0.0

Revision as of 14:05, 13 June 2019

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