NHC NCHAINS: Difference between revisions
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Revision as of 07:35, 22 April 2023
NHC_NCHAINS = [integer]
Default: NHC_NCHAINS = 0
The flag controls the length of chain in 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 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.