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:AbstractMoleculeconverter_options:Anyopts: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):