atomistics.workflows.evcurve.helper

atomistics.workflows.evcurve.helper#

Functions

`analyse_results_for_energy_volume_curve`(...)	Analyze structures using the output and structure dictionaries.
`apply_strain`(structure, epsilon[, ...])	Apply a given strain on the structure.
`fit_ev_curve`(volume_lst, energy_lst, ...)	Fit an energy-volume curve using the given volume and energy arrays.
`fit_ev_curve_internal`(volume_lst, ...)	Fit an energy-volume curve using the given volume and energy arrays.
`get_energy_lst`(output_dict, structure_dict)	Get a list of energy values from the output dictionary for each structure in the structure dictionary.
`get_strains`([vol_range, num_points, strain_lst])	Generate an array of strain values.
`get_tasks_for_energy_volume_curve`(structure)	Generate a dictionary of strained structures.
`get_volume_lst`(structure_dict)	Get a list of volume values from the structure dictionary.

Classes