MolecularZMatrixCoordinateSystem

Mirrors the standard ZMatrix coordinate system in almost all regards, but forces an embedding

name: str
embedding_coords: list

 

__init__(self, masses, coords, converter_options=None, **opts): 
  • molecule: AbstractMolecule
  • converter_options: Any
  • opts: Any

 

@property
origins(self): 

 

@property
axes(self): 

 

get_direct_converter(self, target): 

 

get_inverse_converter(self, target): 

 

pre_convert_to(self, system, opts=None): 

 

set_embedding(self): 

 

jacobian(self, coords, *args, reembed=None, strip_dummies=None, converter_options=None, **kwargs): 

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