amep.evaluate.Tosc#

class amep.evaluate.Tosc(traj: ParticleTrajectory, k: float, skip: float = 0.0, nav: int = 10, ptype: int | None = None)#

Bases: object

Oscillator temperature.

__init__(traj: ParticleTrajectory, k: float, skip: float = 0.0, nav: int = 10, ptype: int | None = None) → None#

Calculates the oscillator temperature. [1]

References

Parameters:

  • traj (ParticleTrajectory) – Trajectory object with simulation data.

  • k (float) – Strength of the harmonic confinement.

  • skip (float, optional) – Skip this fraction at the beginning of the trajectory. The default is 0.0.

  • nav (int, optional) – Number of frames to consider for the time average. The default is 10.

  • ptype (float, optional) – Particle type. The default is None.

Methods

__init__(traj, k[, skip, nav, ptype])

Calculates the oscillator temperature.

Attributes

avg

Time-averaged oscillator temperature (averaged over the given number of frames).

frames

Mean oscillator temperature for each frame.

indices

Indices of all frames for which the mean oscillator temperature has been evaluated.

times

Times at which the mean oscillator temperature is evaluated.
property avg#

Time-averaged oscillator temperature (averaged over the given number of frames).

Returns:

Time-averaged spatial velocity correlation function.

Return type:

np.ndarray

property frames#

Mean oscillator temperature for each frame.

Returns:

Function value for each frame.

Return type:

np.ndarray

property indices#

Indices of all frames for which the mean oscillator temperature has been evaluated.

Returns:

Frame indices.

Return type:

np.ndarray

property times#

Times at which the mean oscillator temperature is evaluated.

Returns:

Times at which the function is evaluated.

Return type:

np.ndarray