httk.atomistic.results.elasticresult module

class httk.atomistic.results.elasticresult.Result_ElasticResult(total_energy, computation, initial_structure, structure, temperature, elastic_tensor, elastic_tensor_nosym, compliance_tensor, K_V, K_R, K_VRH, G_V, G_R, G_VRH, mu_VRH, E_VRH, mechanically_stable, mechanically_stable_with_tolerance, atomic_relaxations, rundir, method_descriptions, material_id)[source]

Bases: Result

X_V = Voigt average X_R = Reuss average X_VRH = Hill average K_X = Bulk modulus G_X = Shear modulus mu_VRH = Poisson’s ratio E_VRH = Young’s modulus

classmethod new_from(other)[source]