DGBCoords

DGBEmbeddedFunction: DGBEmbeddedFunction

 

@property
centers(self) -> 'np.ndarray': 

 

@property
shape(self): 

 

@property
kinetic_energy_evaluator(self) -> 'DGBKineticEnergyEvaluator': 

 

@property
pairwise_potential_evaluator_type(self) -> 'type[DGBPairwisePotentialEvaluator]': 

 

pairwise_potential_evaluator(self, potential_functions) -> 'DGBPairwisePotentialEvaluator': 

 

__getitem__(self, item) -> 'DGBCoords': 

 

take_indices(self, subinds) -> 'DGBCoords': 

 

drop_indices(self, subinds) -> 'DGBCoords': 

 

gmatrix(self, coords: numpy.ndarray) -> numpy.ndarray: 

 

@classmethod
embedded_mode_function(cls, func, modes, masses=None): 

 

@classmethod
embedded_subcoordinate_function(cls, func, sel, ndim): 

 

@classmethod
embedded_cartesian_function(cls, func, atom_sel, xyz_sel, natoms, ndim): 

 

embed_function(self, fn) -> 'DGBEmbeddedFunction': 

 

as_cartesians(self) -> 'tuple[DGBCartesians, tuple[np.ndarray, np.ndarray]]': 

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