NHC NS: Difference between revisions
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The RESPA steps used in in propagation of thermostat variables in [[Nose-Hoover-chain thermostat|Nosé-Hoover–chain (NHC) thermostat]] are treated by Suzuki-Yoshida scheme, whereby each step is subdivided further into {{TAG|NHC_NS}} parts. First, fourth, and sixth order schemes with, respectively, 1, 3, and 7 steps are supported. | The RESPA steps used in in propagation of thermostat variables in [[Nose-Hoover-chain thermostat|Nosé-Hoover–chain (NHC) thermostat]] are treated by Suzuki-Yoshida scheme<ref>[https://pubs.aip.org/aip/jmp/article/26/4/601/227573/Decomposition-formulas-of-exponential-operators M. Suzuki, J. Math. Phys. 26, 601 (1985).]</ref><ref>[https://www.sciencedirect.com/science/article/abs/pii/0375960190900923 H. Yoshida, Phys. Lett. A 150, 262 (1990).]</ref>, whereby each step is subdivided further into {{TAG|NHC_NS}} parts. First, fourth, and sixth order schemes with, respectively, 1, 3, and 7 steps are supported. | ||
Revision as of 13:54, 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[1][2], 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