NHC_NS

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Revision as of 13:33, 17 May 2023 by Tbucko (talk | contribs)

NHC_NS = [integer]
Default: NHC_NS = 1|3|7 

Description: The number of subdivisions of each RESPA step used in the integration step used in propagation of thermostat variables in Nosé-Hoover–chain (NHC) thermostat.


The RESPA steps used in in propagation of thermostat variables in Nosé-Hoover–chain (NHC) thermostat are treated by Suzuki-Yoshida scheme, whereby each step is subdivided further into NHC_NS parts. First, fourth, and sixth order schemes with, respectively, 1, 3, and 7 steps are supported.


Related tags and articles

NHC_PERIOD, NHC_NRESPA, NHC thermostat