emmet.core.elasticity

Functions

fit_elastic_tensor

Fitting the elastic tensor.

generate_derived_fitting_data

Get the derived fitting data from symmetry operations on the primary fitting data.

generate_primary_fitting_data

Get the primary fitting data, i.e. data obtained from a calculation.

get_derived_properties

Get derived elasticity properties.

sanity_check

Post analysis to generate warnings if any.

symmetrize_stresses

Symmetrize stresses by averaging over all symmetry operations.

Classes

BulkModulus

ComplianceTensorDoc

CriticalMessage

ElasticTensorDoc

ElasticityDoc

FittingData

Data used to fit the elastic tensor.

ShearModulus

SoundVelocity

ThermalConductivity

WarningMessage