MolecularCartesianCoordinateSystem
Mirrors the standard Cartesian coordinate system in almost all regards, but forces an embedding
name: str
__init__(self, masses, coords, dummy_positions=None, converter_options=None, **opts):
molecule:AbstractMoleculeconverter_options:Anyopts:Any
to_state(self, serializer=None):
@classmethod
from_state(cls, data, serializer=None):
pre_convert_to(self, system, opts=None):
set_embedding(self):
Sets up the embedding options…
:returns:_
jacobian(self, coords, system, order=None, strip_dummies=None, converter_options=None, analytic_deriv_order=None, **kwargs):