relentless.simulate.BerendsenThermostat#

class relentless.simulate.BerendsenThermostat(T, tau)#

Berendsen thermostat.

Description.

Parameters:

  • T (float) – Target temperature.

  • tau (float) – Coupling time constant.

Methods

Attributes

T

Temperature set point(s).

anneal

True if temperature annealing will be done.
property T#

Temperature set point(s).

Type:

float or tuple

property anneal#

True if temperature annealing will be done.

Type:

bool