fit_elastic_tensor

emmet.core.elasticity.fit_elastic_tensor(strains, stresses, eq_stress, fitting_method='finite_difference', order=2)

Fitting the elastic tensor.

Return type:

ElasticTensor

Parameters:

• strains (list[Strain])

• stresses (list[Stress])

• eq_stress (Stress | None)

• fitting_method (str)

• order (int)

Args:

strains: strains (primary and derived) to fit the elastic tensor stresses: stresses (primary and derived) to fit the elastic tensor eq_stress: equilibrium stress, i.e. stress on the relaxed structure fitting_method: method used to fit the elastic tensor:

{finite_difference, pseudoinverse, independent}

order: expansion order of the elastic tensor, 2 or 3

Returns:

fitted elastic tensor