pymatgen.analysis.elasticity package

Subpackages

Submodules

• pymatgen.analysis.elasticity.elastic module
  • ComplianceTensor
  • ElasticTensor
    • ElasticTensor.cahill_thermalcond()
    • ElasticTensor.clarke_thermalcond()
    • ElasticTensor.compliance_tensor
    • ElasticTensor.debye_temperature()
    • ElasticTensor.directional_elastic_mod()
    • ElasticTensor.directional_poisson_ratio()
    • ElasticTensor.from_independent_strains()
    • ElasticTensor.from_pseudoinverse()
    • ElasticTensor.g_reuss
    • ElasticTensor.g_voigt
    • ElasticTensor.g_vrh
    • ElasticTensor.get_structure_property_dict()
    • ElasticTensor.green_kristoffel()
    • ElasticTensor.homogeneous_poisson
    • ElasticTensor.k_reuss
    • ElasticTensor.k_voigt
    • ElasticTensor.k_vrh
    • ElasticTensor.long_v()
    • ElasticTensor.property_dict
    • ElasticTensor.snyder_ac()
    • ElasticTensor.snyder_opt()
    • ElasticTensor.snyder_total()
    • ElasticTensor.trans_v()
    • ElasticTensor.universal_anisotropy
    • ElasticTensor.y_mod
  • ElasticTensorExpansion
    • ElasticTensorExpansion.calculate_stress()
    • ElasticTensorExpansion.energy_density()
    • ElasticTensorExpansion.from_diff_fit()
    • ElasticTensorExpansion.get_compliance_expansion()
    • ElasticTensorExpansion.get_effective_ecs()
    • ElasticTensorExpansion.get_ggt()
    • ElasticTensorExpansion.get_gruneisen_parameter()
    • ElasticTensorExpansion.get_heat_capacity()
    • ElasticTensorExpansion.get_stability_criteria()
    • ElasticTensorExpansion.get_strain_from_stress()
    • ElasticTensorExpansion.get_symmetric_wallace_tensor()
    • ElasticTensorExpansion.get_tgt()
    • ElasticTensorExpansion.get_wallace_tensor()
    • ElasticTensorExpansion.get_yield_stress()
    • ElasticTensorExpansion.omega()
    • ElasticTensorExpansion.order
    • ElasticTensorExpansion.thermal_expansion_coeff()
  • NthOrderElasticTensor
    • NthOrderElasticTensor.GPa_to_eV_A3
    • NthOrderElasticTensor.calculate_stress()
    • NthOrderElasticTensor.energy_density()
    • NthOrderElasticTensor.from_diff_fit()
    • NthOrderElasticTensor.order
    • NthOrderElasticTensor.symbol
  • diff_fit()
  • find_eq_stress()
  • generate_pseudo()
  • get_diff_coeff()
  • get_strain_state_dict()
  • get_symbol_list()
  • raise_error_if_unphysical()
  • subs()
• pymatgen.analysis.elasticity.strain module
  • Deformation
    • Deformation.apply_to_structure()
    • Deformation.from_index_amount()
    • Deformation.get_perturbed_indices()
    • Deformation.green_lagrange_strain
    • Deformation.is_independent()
    • Deformation.symbol
  • DeformedStructureSet
  • Strain
    • Strain.from_deformation()
    • Strain.from_index_amount()
    • Strain.get_deformation_matrix()
    • Strain.symbol
    • Strain.von_mises_strain
  • convert_strain_to_deformation()
• pymatgen.analysis.elasticity.stress module
  • Stress
    • Stress.dev_principal_invariants
    • Stress.deviator_stress
    • Stress.mean_stress
    • Stress.piola_kirchoff_1()
    • Stress.piola_kirchoff_2()
    • Stress.symbol
    • Stress.von_mises

Module contents

Package for analyzing elastic tensors and properties.