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}} | ||
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]]. | ||
Revision as of 13:34, 17 May 2023
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