DGBPairwisePotentialEvaluator

 

__init__(self, coords, pairwise_potential_functions, quadrature_degree=3, use_with_interpolation='ignored'): 

 

@classmethod
get_bond_length_deltas(cls, natoms, ndim, i, j, full=False): 

 

get_coordinate_bond_length_projection(self, i, j) -> 'tuple[np.ndarray, np.ndarray]': 

 

get_coordinate_change_transformation(self, coordinate_projection_data) -> numpy.ndarray: 

 

get_bond_length_change_transformation(self, overlap_data: 'OverlapGaussianData', i, j) -> numpy.ndarray: 

 

wrap_distance_function(self, i, j, overlap_data: 'OverlapGaussianData', transformations, pairwise_function): 

 

evaluate_pairwise_contrib(self, overlap_data: 'OverlapGaussianData', quadrature_degree=None, expansion_degree=2): 

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