TSUBSYS: Difference between revisions
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Up to three user-defined atomic subsystems may be coupled with independent Andersen thermostats<ref name="Andersen80"/> ({{TAG|MDALGO}}=13). | Up to three user-defined atomic subsystems may be coupled with independent Andersen thermostats<ref name="Andersen80"/> ({{TAG|MDALGO}}=13). | ||
The simulation temperature for the atomic subsystems is set by means of the {{TAG|TSUBSYS}} | The simulation temperature for the atomic subsystems is set by means of the {{TAG|TSUBSYS}} tag (one has to specify one number for each subsystem). | ||
== Related | == Related tags and articles == | ||
{{TAG|NSUBSYS}}, | {{TAG|NSUBSYS}}, | ||
{{TAG|PSUBSYS}}, | {{TAG|PSUBSYS}}, | ||
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[[Category:INCAR]][[Category: | [[Category:INCAR tag]][[Category:Molecular dynamics]] | ||
Latest revision as of 14:34, 7 April 2022
TSUBSYS = [real array]
Description: TSUBSYS sets the temperatures for the atomic subsystems in calculations with multiple Anderson thermostats (in case VASP was compiled with -Dtbdyn).
Up to three user-defined atomic subsystems may be coupled with independent Andersen thermostats[1] (MDALGO=13).
The simulation temperature for the atomic subsystems is set by means of the TSUBSYS tag (one has to specify one number for each subsystem).