2.5.18. prismatique.load.num_frozen_phonon_configs_in_subset

num_frozen_phonon_configs_in_subset(filename, skip_validation_and_conversion=False)

From a given prismatique output file that stores data related to a frozen phonon configuration subset, load the number of frozen phonon configurations making up the subset.

See the documentation for the class prismatique.thermal.Params for a discussion on frozen phonon configurations and subsets thereof.

Parameters:

filenamestr

The relative or absolute path to the file containing prismatique output related to the frozen phonon configuration subset of interest. Any non-temporary file generated by the function prismatique.sample.generate_potential_slices(), prismatique.sample.generate_S_matrices(), prismatique.stem.sim.run(), or prismatique.hrtem.sim.run() with originally a basename of the form "potential_slices_of_subset_"+str(i)+".h5", "S_matrices_of_subset_"+str(i)+".h5", "stem_sim_wavefunction_output_of_subset_"+str(i)+".h5", or "hrtem_sim_wavefunction_output_of_subset_"+str(i)+".h5" is valid, where i is a nonnegative integer.

See the documentation for the classes prismatique.stem.output.Params and prismatique.hrtem.output.Params for discussions on the layout and structure of prismatique STEM and HRTEM simulation output files respectively.

skip_validation_and_conversionbool, optional

If skip_validation_and_conversion is set to False, then validations and conversions are performed on the above parameters.

Otherwise, if skip_validation_and_conversion is set to True, no validations and conversions are performed on the above parameters. This option is desired primarily when the user wants to avoid potentially expensive validation and/or conversion operations.

Returns:

num_configs_in_subsetint

The number of frozen phonon configurations in the subset specified by the output file.