NHC NS: Difference between revisions

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{{DISPLAYTITLE:NHC_NS}}
{{DISPLAYTITLE:NHC_NS}}
{{TAGDEF|NHC_NS|[integer]|1 {{!}} 3 {{!}} 7}}
{{TAGDEF|NHC_NS|[integer] 1 {{!}} 3 {{!}} 7|1}}


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

Latest revision as of 13:06, 6 November 2023

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

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[1][2], whereby each step is subdivided further into NHC_NS parts. First, fourth, and sixth order schemes with, 1, 3, and 7 steps, respectively, are supported.


Related tags and articles

NHC_PERIOD, NHC_NRESPA, NHC thermostat