atomistics.workflows.evcurve.debye

Functions

debye_function(x)	Calculate the Debye function for a given array of values.
debye_integral(x)	Calculate the Debye integral for a given array of values.
get_debye_model(fit_dict, masses[, num_steps])	Create a DebyeModel object with the given parameters.
get_thermal_properties_for_energy_volume_curve(...)	Calculate the thermal properties based on the Debye model.

Classes

DebyeModel(fit_dict, masses[, num_steps])	Calculate Thermodynamic Properties based on the Murnaghan output
DebyeThermalProperties(fit_dict, masses[, ...])