perturbopy.postproc.calc_modes.dyna_pp.DynaPP

class perturbopy.postproc.calc_modes.dyna_pp.DynaPP(popu_file, pert_dict)

Bases: CalcMode

Class representation of a Perturbo dynamics-pp calculation.

times

Array of all the times from the dynamics-run simulations.

Type:

np.ndarray

time_units

units for the times attribute

Type:

str

energy_grid

Array of energies in the energy window for the calculation

Type:

np.ndarray

energy_units

Units for the energy_grid attribute

Type:

str

popu

Array of shape num_times x num_energies containing carrier populations over the energy_grid and times.

Type:

np.ndarray

Methods

from_hdf5_yaml	Class method to create a DynamicsRunCalcMode object from the HDF5 file and YAML file generated by a Perturbo calculation
from_yaml	Class method to create a CalcMode object from the YAML file generated by a Perturbo calculation.

classmethod from_hdf5_yaml(popu_path, yaml_path='pert_output.yml')

Class method to create a DynamicsRunCalcMode object from the HDF5 file and YAML file generated by a Perturbo calculation

Parameters:

• popu_path (str) – Path to the HDF5 file generated by a dynamics-pp calculation

• yaml_path (str, optional) – Path to the YAML file generated by a dynamics-pp calculation

Returns:

dyanamics_pp – The DynaPP object generated from the HDF5 and YAML files

Return type:

DynaPP

classmethod from_yaml(yaml_path='pert_output.yml')

Class method to create a CalcMode object from the YAML file generated by a Perturbo calculation.

Parameters:

yaml_path (str, optional) – Path to the YAML file generated by a Perturbo calculation

Returns:

calc_mode – The CalcMode object generated from the YAML file

Return type:

CalcMode