Template:MDCOMBINATIONS: Difference between revisions

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| 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
|-
|-
|                          colspan="4" style="text-align: center;"| or
|                          colspan="4" style="text-align: center;"|  
|-
|-
|                          colspan="4" style="text-align: center;"| {{TAG|MDALGO}}=2, {{TAG|SMASS}}=-3                             
|                          colspan="4" style="text-align: center;"|                            
|-
|-
| 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 08:34, 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
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