NHC NCHAINS: Difference between revisions

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{{TAGDEF|NHC_NCHAINS|[integer]|0}}
{{TAGDEF|NHC_NCHAINS|[integer]|0}}


The flag controls the length of chain in {{TAG|NHC_NCHAINS}} thermostat. Typically, this flag is set to a value between 1 and 5, the maximal allowed value is 20. In the special case of {{TAG|NHC_NCHAINS}}=0, the thermostat is switched off. The underlying dynamics thus generate a microcanonical ensemble. Another special case of {{TAG|NHC_NCHAINS}}=1 corresponds to the standard Nose-Hoover thermostat.
The flag controls the length of chain in {{TAG|NHC_THERMOSTAT}} thermostat. Typically, this flag is set to a value between 1 and 5, the maximal allowed value is 20. In the special case of {{TAG|NHC_NCHAINS}}=0, the thermostat is switched off. The underlying dynamics thus generate a microcanonical ensemble. Another special case of {{TAG|NHC_NCHAINS}}=1 corresponds to the standard Nose-Hoover thermostat.

Revision as of 07:36, 22 April 2023

NHC_NCHAINS = [integer]
Default: NHC_NCHAINS = 0 

The flag controls the length of chain in NHC_THERMOSTAT thermostat. Typically, this flag is set to a value between 1 and 5, the maximal allowed value is 20. In the special case of NHC_NCHAINS=0, the thermostat is switched off. The underlying dynamics thus generate a microcanonical ensemble. Another special case of NHC_NCHAINS=1 corresponds to the standard Nose-Hoover thermostat.