Template:MDCOMBINATIONS: Difference between revisions

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:{| cellpadding="5" cellspacing="0" border="1"
:{| cellpadding="5" cellspacing="0" border="1"
|                          ||colspan="4" style="text-align: center;"| Thermostat  
|                          ||colspan="4" style="text-align: center;"| [[:Category:Thermostats|Thermostat]]
|-
|-
|  [[: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]]  

Revision as of 14:08, 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