Home-made deterministic integrators#

Implements homemade integrators for deterministic systems, that is, not taking into acount diffusion due to photon scattering.

class atomsmltr.simulation.simulator.deterministic.CustomSimulationBase(config: Configuration = None)[source]#

Bases: Simulation

A Base for home-made deterministic simulations

Not meant to be used directly, just gathering common method

dudt(t, u)[source]#

should return the derivative of the position/speed vector u

get_force(u)[source]#

returns the force felt at a position/speed vector u

Parameters:

u (array, shape (6,) or (n1, n2, .., 6)) – array of cartesian coordinates (position and speed) in the lab frame

Returns:

force – the force at the coordinates given by pos_speed_vector

Return type:

array, shape (3,) or (n1, n2, .., 3)

class atomsmltr.simulation.simulator.deterministic.Euler(config: Configuration = None)[source]#

Bases: CustomSimulationBase

A homemade simulator based on Euler’s method

Parameters:

config (Configuration, optional) – the configuration to consider for the simulation

References

TODO: put here

class atomsmltr.simulation.simulator.deterministic.RK4(config: Configuration = None)[source]#

Bases: CustomSimulationBase

A homemade simulator based on fourth order Runge-Kutta method

Parameters:

config (Configuration, optional) – the configuration to consider for the simulation

References

https://en.wikipedia.org/wiki/Runge%E2%80%93Kutta_methods

class atomsmltr.simulation.simulator.deterministic.VelocityVerlet(config: Configuration = None)[source]#

Bases: CustomSimulationBase

A homemade simulator based on velocity verlet method

Parameters:

config (Configuration, optional) – the configuration to consider for the simulation

References

TODO: put here

atomsmltr.simulation.simulator.deterministic.stop_position_event(u: ndarray, stop_position: list)[source]#

Implements ‘stop’ events for home-made simulators, based on atom’s position

Parameters:

  • u (array, shape (n,m,...,6)) – position/speed vector, according to our vectorization convention

  • stop_position (list) – list of Zones objects targetting position with actions set to stop

Returns:

res – whether to stop the simulation

Return type:

bool

See also

atomsmltr.environment.zones, atomsmltr.simulation.configurator.Configuration.get_stop_zones

atomsmltr.simulation.simulator.deterministic.stop_speed_event(u: ndarray, stop_speed: list)[source]#

Implements ‘stop’ events for home-made simulators, based on atom’s speed

Parameters:

  • u (array, shape (n,m,...,6)) – position/speed vector, according to our vectorization convention

  • stop_speed (list) – list of Zones objects targetting speed with actions set to stop

Returns:

res – whether to stop the simulation

Return type:

bool

See also

atomsmltr.environment.zones, atomsmltr.simulation.configurator.Configuration.get_stop_zones