atomistics.workflows.elastic.elastic_moduli

Functions

get_AVR(shearmodul_voigt, shearmodul_reuss)	Calculate the average value ratio (AVR) of the shear modulus.
get_bulkmodul_hill(bulkmodul_voigt, ...)	Calculate the Hill average of the bulk modulus.
get_bulkmodul_reuss(elastic_matrix_inverse)	Calculate the Reuss average of the bulk modulus.
get_bulkmodul_voigt(elastic_matrix)	Calculate the Voigt average of the bulk modulus.
get_elastic_matrix_eigval(elastic_matrix)	Calculate the eigenvalues and eigenvectors of the elastic matrix.
get_elastic_matrix_inverse(elastic_matrix)	Calculate the inverse of the elastic matrix.
get_poissonsratio_hill(bulkmodul_hill, ...)	Calculate the Poisson's ratio using Hill's approximation.
get_poissonsratio_reuss(bulkmodul_reuss, ...)	Calculate the Poisson's ratio using the Reuss approximation.
get_poissonsratio_voigt(bulkmodul_voigt, ...)	Calculate the Poisson's ratio using the Voigt notation.
get_shearmodul_hill(shearmodul_voigt, ...)	Calculate the shear modulus using the Hill approximation.
get_shearmodul_reuss(elastic_matrix_inverse)	Calculate the Reuss average of the shear modulus.
get_shearmodul_voigt(elastic_matrix)	Calculate the Voigt average of the shear modulus.
get_youngsmodul_hill(bulkmodul_hill, ...)	Calculate the Young's modulus using the Hill approximation.
get_youngsmodul_reuss(bulkmodul_reuss, ...)	Calculates the Young's modulus using the Reuss approximation.
get_youngsmodul_voigt(bulkmodul_voigt, ...)	Calculates the Young's modulus using the Voigt notation.

Classes

ElasticProperties(elastic_matrix)