atomistics.calculators.hessian.get_displacement

atomistics.calculators.hessian.get_displacement(structure_equilibrium: Atoms, structure: Atoms) → ndarray

Calculate the displacements between two structures.

Parameters:

• structure_equilibrium (Atoms) – The equilibrium structure.

• structure (Atoms) – The current structure.

Returns:

The displacements between the two structures.

Return type:

np.ndarray