name: str

__init__(self, mol, surface=None, derivatives=None): 

@classmethod
from_data(cls, mol, data): 

@property
surface(self): 

@property
surface_coords(self): 

get_derivs(self, quiet=False): 

@property
derivatives(self): 

@property
force_constants(self): 

load_potential_derivatives(self, file=None, mode=None, quiet=False): 

Loads potential derivatives from a file (or from source_file if set)

• file: Any

• :returns: _

load_potential_surface(self, coordinates): 

load(self, coordinates=None): 

update(self, val): 

Updates the held values

• val: Any

• :returns: _

apply_transformation(self, transf): 

insert_atoms(self, atoms, coords, where): 

Handles the insertion of new atoms into the structure

• atoms: tuple[str]

• coords: CoordinateSet

• where: tuple[int]

• :returns: _

delete_atoms(self, where): 

Handles the deletion from the structure

• atoms: tuple[str]

• coords: CoordinateSet

• where: tuple[int]

• :returns: _