zkit.simulation

High-level simulation reader for TDSEZ.

class zkit.simulation.Run(run_dir, basename)

Bases: object

Read all outputs of a TDSEZ simulation run.

Parameters:

• run_dir (Union[str, Path]) – Directory containing the td/ and static/ subdirectories.

• basename (Union[str, Path]) – Input basename such as h2p.inp or full path to the input file.

Examples

>>> run = zkit.Run("build", "h2p.inp")
>>> run.dim
1
>>> run.dipoles.shape
(101, 4)

property meta: SimulationMeta

property dim: int

property evolution: TimeEvolution

property spectrum: EigenData

property wavefunctions: WavefunctionSeries

property physics: Physics

property ts: TSSeries

property time: np.ndarray

property dipoles: np.ndarray

property populations: np.ndarray

property energies: np.ndarray

property currents: np.ndarray

property autocorrelation: np.ndarray

zkit.simulation.Simulation

alias of Run

zkit.simulation.load(run_dir, basename)

Load a simulation run.

Parameters:

• run_dir (str | Path)

• basename (str | Path)

Return type:

Run