Template:MDCOMBINATIONS: Difference between revisions

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|                          colspan="4" style="text-align: center;"| {{TAG|MDALGO}}=0, {{TAG|SMASS}}=-3                               
|                          colspan="4" style="text-align: center;"| {{TAG|MDALGO}}=0, {{TAG|SMASS}}=-3                               
|-
|-
| rowspan="2" style="text-align: center;"|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
|-
|-
|                            {{TAG|ISIF}}=2  ||{{TAG|ISIF}}=2    ||{{TAG|ISIF}}=2    || {{TAG|ISIF}}=2
|                            {{TAG|ISIF}}=2  ||{{TAG|ISIF}}=2    ||{{TAG|ISIF}}=2    || {{TAG|ISIF}}=2

Revision as of 13:32, 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