Template:MDCOMBINATIONS: Difference between revisions

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| rowspan="3" |NVE          ||{{TAG|MDALGO}}=1 || rowspan="3" |not available                ||  rowspan="3" |not available              || {{TAG|MDALGO}}=13     
| rowspan="3" |NVE          ||{{TAG|MDALGO}}=1 || rowspan="3" |not available                ||  rowspan="3" |not available              || {{TAG|MDALGO}}=13     
|-
|-
|                            {{TAG|ISIF}}=0   ||                  ||                  || {{TAG|ISIF}}=0
|                            {{TAG|ISIF}}=0                   || {{TAG|ISIF}}=0
|-
|-
|{{TAG|ANDERSEN_PROB}}=0.0  ||                ||                  ||                  {{TAG|ANDERSEN_PROB}}=0.0             
|{{TAG|ANDERSEN_PROB}}=0.0  ||                ||                  ||                  {{TAG|ANDERSEN_PROB}}=0.0             

Revision as of 11:27, 29 May 2019

Thermostat
Ensemble Andersen Nose-Hoover Langevin Multiple Andersen
NVE MDALGO=1 not available not available MDALGO=13
ISIF=0 ISIF=0
ANDERSEN_PROB=0.0 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