Index

A

A_cb (mechelastic.core.elastic_properties.ElasticProperties property) A_l (mechelastic.core.elastic_properties.ElasticProperties property) A_u (mechelastic.core.elastic_properties.ElasticProperties property) A_z (mechelastic.core.elastic_properties.ElasticProperties property) AbinitOutput (class in mechelastic.parsers.abinitparser) anisotropy_Chung_Buessem (mechelastic.core.elastic_properties.ElasticProperties property)

anisotropy_log_euclidean (mechelastic.core.elastic_properties.ElasticProperties property) anisotropy_universal (mechelastic.core.elastic_properties.ElasticProperties property) anisotropy_zenner (mechelastic.core.elastic_properties.ElasticProperties property) atomic_mass() (in module mechelastic.utils.elements) atomic_number() (in module mechelastic.utils.elements) atomic_numbers (mechelastic.core.structure.Structure property)

B

bond_bending_vs_streching (mechelastic.core.elastic_properties.ElasticProperties property) bonding_type (mechelastic.core.elastic_properties.ElasticProperties property) bulk_modulus_reuss (mechelastic.core.elastic_properties.ElasticProperties property) bulk_modulus_voigt (mechelastic.core.elastic_properties.ElasticProperties property)

bulk_modulus_voigt_reuss_hill (mechelastic.core.elastic_properties.ElasticProperties property) bulk_shear_ratio_reuss (mechelastic.core.elastic_properties.ElasticProperties property) bulk_shear_ratio_voigt (mechelastic.core.elastic_properties.ElasticProperties property) bulk_shear_ratio_voigt_reuss_hill (mechelastic.core.elastic_properties.ElasticProperties property)

C

calculate_elastic() (in module mechelastic.calculate_elastic) calculate_elastic_anisotropy() (in module mechelastic.calculate_elastic_anisotropy)

cauchy_pressure (mechelastic.core.elastic_properties.ElasticProperties property) check_symmetric() (in module mechelastic.tests.symmetry) crystal_select() (in module mechelastic.utils.crystalutils)

D

debye_temperature (mechelastic.core.elastic_properties.ElasticProperties property) density (mechelastic.core.structure.Structure property)

ductile_test() (in module mechelastic.tests.ductile) ductility (mechelastic.core.elastic_properties.ElasticProperties property)

E

E_r (mechelastic.core.elastic_properties.ElasticProperties property) E_v (mechelastic.core.elastic_properties.ElasticProperties property) E_vrh (mechelastic.core.elastic_properties.ElasticProperties property)

elastic_stability (mechelastic.core.elastic_properties.ElasticProperties property) (mechelastic.core.elastic_properties_2d.ElasticProperties2D property) ElasticProperties (class in mechelastic.core.elastic_properties) ElasticProperties2D (class in mechelastic.core.elastic_properties_2d)

G

G2d (mechelastic.core.elastic_properties_2d.ElasticProperties2D property) G_r (mechelastic.core.elastic_properties.ElasticProperties property) G_v (mechelastic.core.elastic_properties.ElasticProperties property)

G_vrh (mechelastic.core.elastic_properties.ElasticProperties property) get_space_group_international() (mechelastic.core.structure.Structure method) get_space_group_number() (mechelastic.core.structure.Structure method) get_wyckoff_positions() (mechelastic.core.structure.Structure method)

H

hardness (mechelastic.core.elastic_properties.ElasticProperties property)

K

K_r (mechelastic.core.elastic_properties.ElasticProperties property) K_v (mechelastic.core.elastic_properties.ElasticProperties property) K_vrh (mechelastic.core.elastic_properties.ElasticProperties property)

KG_ratio_r (mechelastic.core.elastic_properties.ElasticProperties property) KG_ratio_v (mechelastic.core.elastic_properties.ElasticProperties property) KG_ratio_vrh (mechelastic.core.elastic_properties.ElasticProperties property) kleinman_parameter (mechelastic.core.elastic_properties.ElasticProperties property)

L

lambda_lame_coefficient (mechelastic.core.elastic_properties.ElasticProperties property) lattice_select() (in module mechelastic.utils.crystalutils)

layer_modulus (mechelastic.core.elastic_properties_2d.ElasticProperties2D property) Lm (mechelastic.core.elastic_properties_2d.ElasticProperties2D property)

M

M_r (mechelastic.core.elastic_properties.ElasticProperties property) M_v (mechelastic.core.elastic_properties.ElasticProperties property) M_vrh (mechelastic.core.elastic_properties.ElasticProperties property) masses (mechelastic.core.structure.Structure property) mechelastic module mechelastic.calculate_elastic module mechelastic.calculate_elastic_anisotropy module mechelastic.comms module mechelastic.comms.printer module mechelastic.core module mechelastic.core.elastic_properties module mechelastic.core.elastic_properties_2d module mechelastic.core.ELATE module mechelastic.core.structure module mechelastic.parsers module mechelastic.parsers.abinitparser module mechelastic.parsers.vaspparser module mechelastic.tests module mechelastic.tests.ductile module mechelastic.tests.eigenvals module mechelastic.tests.stability module

mechelastic.tests.symmetry module mechelastic.utils module mechelastic.utils.constants module mechelastic.utils.crystalutils module mechelastic.utils.elements module mechelastic.version module melting_temperature (mechelastic.core.elastic_properties.ElasticProperties property) module mechelastic mechelastic.calculate_elastic mechelastic.calculate_elastic_anisotropy mechelastic.comms mechelastic.comms.printer mechelastic.core mechelastic.core.elastic_properties mechelastic.core.elastic_properties_2d mechelastic.core.ELATE mechelastic.core.structure mechelastic.parsers mechelastic.parsers.abinitparser mechelastic.parsers.vaspparser mechelastic.tests mechelastic.tests.ductile mechelastic.tests.eigenvals mechelastic.tests.stability mechelastic.tests.symmetry mechelastic.utils mechelastic.utils.constants mechelastic.utils.crystalutils mechelastic.utils.elements mechelastic.version mu_lame_coefficient (mechelastic.core.elastic_properties.ElasticProperties property)

N

natoms (mechelastic.core.structure.Structure property) nspecies (mechelastic.core.structure.Structure property) nu01 (mechelastic.core.elastic_properties_2d.ElasticProperties2D property)

nu10 (mechelastic.core.elastic_properties_2d.ElasticProperties2D property) Nu_r (mechelastic.core.elastic_properties.ElasticProperties property) Nu_v (mechelastic.core.elastic_properties.ElasticProperties property) Nu_vrh (mechelastic.core.elastic_properties.ElasticProperties property)

P

p_wave_modulus_reuss (mechelastic.core.elastic_properties.ElasticProperties property) p_wave_modulus_voigt (mechelastic.core.elastic_properties.ElasticProperties property) p_wave_modulus_voigt_reuss_hill (mechelastic.core.elastic_properties.ElasticProperties property) poissons_ratio_reuss (mechelastic.core.elastic_properties.ElasticProperties property) poissons_ratio_voigt (mechelastic.core.elastic_properties.ElasticProperties property) poissons_ratio_voigt_reuss_hill (mechelastic.core.elastic_properties.ElasticProperties property) positive_evals() (in module mechelastic.tests.eigenvals)

print_matrix() (in module mechelastic.comms.printer) (in module mechelastic.core.elastic_properties) print_mechelastic() (in module mechelastic.comms.printer) print_properties() (mechelastic.core.elastic_properties_2d.ElasticProperties2D method) print_warning_2D() (in module mechelastic.comms.printer) pugh_ratio_reuss (mechelastic.core.elastic_properties.ElasticProperties property) pugh_ratio_voigt (mechelastic.core.elastic_properties.ElasticProperties property) pugh_ratio_voigt_reuss_hill (mechelastic.core.elastic_properties.ElasticProperties property)

S

shear_modulus_2d (mechelastic.core.elastic_properties_2d.ElasticProperties2D property) shear_modulus_reuss (mechelastic.core.elastic_properties.ElasticProperties property) shear_modulus_voight (mechelastic.core.elastic_properties.ElasticProperties property) shear_modulus_voight_reuss_hill (mechelastic.core.elastic_properties.ElasticProperties property)

species (mechelastic.core.structure.Structure property) spglib_cell (mechelastic.core.structure.Structure property) stability_test() (in module mechelastic.tests.stability) stability_test_2d() (in module mechelastic.tests.stability) Structure (class in mechelastic.core.structure)

T

to_dict() (mechelastic.core.elastic_properties.ElasticProperties method) (mechelastic.core.structure.Structure method)

to_file() (mechelastic.core.elastic_properties.ElasticProperties method) to_json() (mechelastic.core.elastic_properties.ElasticProperties method) to_xml() (mechelastic.core.elastic_properties.ElasticProperties method)

V

VaspOutcar (class in mechelastic.parsers.vaspparser) velocity_average (mechelastic.core.elastic_properties.ElasticProperties property)

velocity_logitudinal (mechelastic.core.elastic_properties.ElasticProperties property) velocity_transverse (mechelastic.core.elastic_properties.ElasticProperties property) volume (mechelastic.core.structure.Structure property)

Y

Y01 (mechelastic.core.elastic_properties_2d.ElasticProperties2D property) Y10 (mechelastic.core.elastic_properties_2d.ElasticProperties2D property)

youngs_modulus_reuss (mechelastic.core.elastic_properties.ElasticProperties property) youngs_modulus_voigt (mechelastic.core.elastic_properties.ElasticProperties property) youngs_modulus_voigt_reuss_hill (mechelastic.core.elastic_properties.ElasticProperties property)