atomistics.shared.output.OutputElastic

class atomistics.shared.output.OutputElastic(elastic_matrix: Callable[[], object], elastic_matrix_inverse: Callable[[], object], bulkmodul_voigt: Callable[[], object], bulkmodul_reuss: Callable[[], object], bulkmodul_hill: Callable[[], object], shearmodul_voigt: Callable[[], object], shearmodul_reuss: Callable[[], object], shearmodul_hill: Callable[[], object], youngsmodul_voigt: Callable[[], object], youngsmodul_reuss: Callable[[], object], youngsmodul_hill: Callable[[], object], poissonsratio_voigt: Callable[[], object], poissonsratio_reuss: Callable[[], object], poissonsratio_hill: Callable[[], object], AVR: Callable[[], object], elastic_matrix_eigval: Callable[[], object])

Bases: Output

Output data for an elastic constants calculation.

All moduli are in GPa; Poisson ratios and AVR are dimensionless.

elastic_matrix

Callable returning the 6×6 Voigt elastic matrix in GPa.

Type:

OutputCallable

elastic_matrix_inverse

Callable returning the compliance matrix (inverse of elastic_matrix).

Type:

OutputCallable

bulkmodul_voigt

Callable returning the Voigt-averaged bulk modulus in GPa.

Type:

OutputCallable

bulkmodul_reuss

Callable returning the Reuss-averaged bulk modulus in GPa.

Type:

OutputCallable

bulkmodul_hill

Callable returning the Hill-averaged bulk modulus in GPa.

Type:

OutputCallable

shearmodul_voigt

Callable returning the Voigt-averaged shear modulus in GPa.

Type:

OutputCallable

shearmodul_reuss

Callable returning the Reuss-averaged shear modulus in GPa.

Type:

OutputCallable

shearmodul_hill

Callable returning the Hill-averaged shear modulus in GPa.

Type:

OutputCallable

youngsmodul_voigt

Callable returning the Voigt-averaged Young’s modulus in GPa.

Type:

OutputCallable

youngsmodul_reuss

Callable returning the Reuss-averaged Young’s modulus in GPa.

Type:

OutputCallable

youngsmodul_hill

Callable returning the Hill-averaged Young’s modulus in GPa.

Type:

OutputCallable

poissonsratio_voigt

Callable returning the Voigt-averaged Poisson’s ratio.

Type:

OutputCallable

poissonsratio_reuss

Callable returning the Reuss-averaged Poisson’s ratio.

Type:

OutputCallable

poissonsratio_hill

Callable returning the Hill-averaged Poisson’s ratio.

Type:

OutputCallable

AVR

Callable returning the Voigt-Reuss-Hill anisotropy ratio.

Type:

OutputCallable

elastic_matrix_eigval

Callable returning the eigenvalues of the elastic matrix.

Type:

OutputCallable

__init__(elastic_matrix: Callable[[], object], elastic_matrix_inverse: Callable[[], object], bulkmodul_voigt: Callable[[], object], bulkmodul_reuss: Callable[[], object], bulkmodul_hill: Callable[[], object], shearmodul_voigt: Callable[[], object], shearmodul_reuss: Callable[[], object], shearmodul_hill: Callable[[], object], youngsmodul_voigt: Callable[[], object], youngsmodul_reuss: Callable[[], object], youngsmodul_hill: Callable[[], object], poissonsratio_voigt: Callable[[], object], poissonsratio_reuss: Callable[[], object], poissonsratio_hill: Callable[[], object], AVR: Callable[[], object], elastic_matrix_eigval: Callable[[], object]) → None

Methods

__init__(elastic_matrix, ...)
get(output_keys)	Get the specified output data.
keys()	Get the keys of the output data class.

Attributes

elastic_matrix
elastic_matrix_inverse
bulkmodul_voigt
bulkmodul_reuss
bulkmodul_hill
shearmodul_voigt
shearmodul_reuss
shearmodul_hill
youngsmodul_voigt
youngsmodul_reuss
youngsmodul_hill
poissonsratio_voigt
poissonsratio_reuss
poissonsratio_hill
AVR
elastic_matrix_eigval

get(output_keys: Iterable[str]) → dict

Get the specified output data.

Parameters:

output_keys (tuple) – The keys of the output data to retrieve.

Returns:

The output data.

Return type:

dict

classmethod keys() → tuple

Get the keys of the output data class.

Returns:

The keys of the output data class.

Return type:

tuple