Coverage for /builds/kinetik161/ase/ase/calculators/polarizability.py: 100.00%

1from abc import ABC, abstractmethod 

2 

3 

4class StaticPolarizabilityCalculator(ABC): 

5 @abstractmethod 

6 def __call__(self, atoms, *args, **kwargs): 

7 """Calculate the polarizability tensor 

8 

9 atoms: Atoms object 

10 

11 Returns: 

12 Polarizabilty tensor (3x3 matrix) in units (e^2 Angstrom^2 / eV) 

13 Can be multiplied by Bohr * Ha to get (Angstrom^3) 

14 """