NOSE

References: Nose1984, Nose1984b

paramameters of the Nose Hoover thermostat chain [Edit on GitHub]

Subsections

Keywords

LENGTH

Type: integer
Default: 3
Usage: length integer

Description: length of the Nose-Hoover chain

Type: integer
Default: 2
Aliases: MULTIPLE_TIME_STEPS, MULT_T_STEPS
Usage: mts integer

Description: number of multiple timesteps to be used for the NoseHoover chain

TIMECON

Type: real
Default: 1.00000000E+003 [fs]
Usage: timecon

Description: timeconstant of the thermostat chain

YOSHIDA

Type: integer
Default: 3
Usage: Yoshida integer

Description: order of the yoshida integrator used for the thermostat