NOSE

References: NOSE1984, NOSE1984b

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

Subsections

• COORD
• FORCE
• MASS
• VELOCITY

Keywords

• LENGTH

• MTS

• TIMECON

• YOSHIDA

Keyword descriptions

LENGTH: integer = 3

Usage: length integer

length of the Nose-Hoover chain [Edit on GitHub]

MTS: integer = 2

Aliases: MULTIPLE_TIME_STEPS ,MULT_T_STEPS

Usage: mts integer

number of multiple timesteps to be used for the NoseHoover chain [Edit on GitHub]

TIMECON: real = 1.00000000E+003 [fs]

Usage: timecon

timeconstant of the thermostat chain [Edit on GitHub]

YOSHIDA: integer = 3

Usage: Yoshida integer

order of the yoshida integrator used for the thermostat [Edit on GitHub]