NHC NCHAINS: Difference between revisions
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{{TAGDEF|NHC_NCHAINS|[integer]|0}} | {{TAGDEF|NHC_NCHAINS|[integer]|0}} | ||
Description: Length of the Nosé-Hoover chain. | |||
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{{TAG|NHC_NCHAINS}} sets the length of the chain for the [[Nose-Hoover-chain thermostat|Nosé-Hoover–chain (NHC) thermostat]]. Typically, this tag is set to a value between 1 and 5. The maximal allowed value is 20. | |||
In case {{TAG|NHC_NCHAINS}}=0, the thermostat is switched off and the underlying dynamics generate a [[NVE ensemble|microcanonical (NVE) ensemble]]. {{TAG|NHC_NCHAINS}}=1 corresponds to the [[Nose-Hoover thermostat|standard Nosé-Hoover thermostat]]. | |||
== Related tags and articles == | |||
{{TAG|NHC_PERIOD}}, [[NHC thermostat]] | |||
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[[Category:INCAR tag]][[Category:Thermostats]] | |||
Latest revision as of 10:04, 24 April 2023
NHC_NCHAINS = [integer]
Default: NHC_NCHAINS = 0
Description: Length of the Nosé-Hoover chain.
NHC_NCHAINS sets the length of the chain for the Nosé-Hoover–chain (NHC) thermostat. Typically, this tag is set to a value between 1 and 5. The maximal allowed value is 20.
In case NHC_NCHAINS=0, the thermostat is switched off and the underlying dynamics generate a microcanonical (NVE) ensemble. NHC_NCHAINS=1 corresponds to the standard Nosé-Hoover thermostat.