THERMOSTAT

Specify thermostat type and parameters controlling the thermostat. [Edit on GitHub]

Subsections

• AD_LANGEVIN
• CSVR
• GLE
• NOSE
• PRINT

Keywords

• TYPE

Keyword descriptions

TYPE

Type: enum
Default: SAME_AS_PARTICLE
Usage: TYPE NOSE

Description: Specify the thermostat used for the constant temperature ensembles.

Valid values:

• SAME_AS_PARTICLE Use the same kind of thermostat used for particles.

• NOSE Uses the Nose-Hoover thermostat.

• CSVR Uses the canonical sampling through velocity rescaling.

[Edit on GitHub]