sarkas.time_evolution.thermostats.Thermostat#

class sarkas.time_evolution.thermostats.Thermostat[source]#

Thermostat object.

Variables

  • berendsen_tau (float) – Berendsen parameter.

  • eV2K (float) – Conversion factor from eV to Kelvin.

  • eV_temp_flag (bool) – Flag if the input temperatures are in eV. Default = False.

  • K_temp_flag (bool) – Flag if the input temperatures are in K. Default = False.

  • kB (float) – Boltzmann constant in correct units. Default is in J/K.

  • relaxation_rate (float) – Berendsen parameter tau.

  • relaxation_timestep (int) – Timestep at which thermostat is turned on.

  • species_num (numpy.ndarray) – Number of particles of each species. Copy of sarkas.core.Parameters.species_num.

  • species_masses (numpy.ndarray) – Mass of each species. Copy of sarkas.core.Parameters.species_masses.

  • temperatures (numpy.ndarray) – Array of equilibration temperatures.

  • temperatures_eV (numpy.ndarray) – Array of equilibration temperatures in eV.

  • type (str) – Thermostat type.

Methods

Thermostat.__init__()

Thermostat.from_dict(input_dict)

Update attributes from input dictionary.

Thermostat.pretty_print()

Print Thermostat information in a user-friendly way.

Thermostat.setup(params)

Assign attributes from simulation's parameters.

Thermostat.update(ptcls, it)

Update particles' velocities according to the chosen thermostat