Template:MDCOMBINATIONS: Difference between revisions

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|                            {{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             
|-
|-
| rowspan="2"|NVT          ||{{TAG|MDALGO}}=1 ||{{TAG|MDALGO}}=2  || {{TAG|MDALGO}}=3 || {{TAG|MDALGO}}=13
| rowspan="2"|NVT          ||{{TAG|MDALGO}}=1 ||{{TAG|MDALGO}}=2  || {{TAG|MDALGO}}=3 || {{TAG|MDALGO}}=13

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