httk.atomistic.results.aimdresult module¶
- class httk.atomistic.results.aimdresult.Result_AIMDResult(total_energy, computation, initial_structure, structure, temperature, VEC, elastic_tensor, compliance_tensor, third_order_elastic_tensor, ultimate_tensile_strain, ultimate_shear_strain, ultimate_tensile_strength, ultimate_shear_strength, tensile_toughness, tensile_resilience, tensile_elastic_strain_limit, tensile_plastic_strain_range, tensile_fracture_strain, tensile_plastic_energy_density, slip_induced_plasticity_at_crack_tips, shear_modulus_tensor, K_VRH, G_VRH, E_VRH, G_over_B, method_descriptions, material_id)[source]¶
Bases:
ResultTODO: document the variables here