NHC_NS

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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

  1. ↑ M. Suzuki, J. Math. Phys. 26, 601 (1985).
  2. ↑ H. Yoshida, Phys. Lett. A 150, 262 (1990).
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