ModeEmbedding
Provides a specialization on a MoleculaEmbedding to express all properties
in terms of the attendant normal modes
__init__(self, embedding: Psience.Molecools.CoordinateSystems.MolecularEmbedding, modes, mass_weight=None, dimensionless=None, masses=None):
mw_conversion(self, strip_dummies=None):
mw_inverse(self, strip_dummies=None):
get_mw_cartesians_by_internals(self, order=None, mass_weighted=None, coords=None, strip_embedding=True):
get_internals_by_mw_cartesians(self, order=None, mass_weighted=None, coords=None, strip_embedding=True):
get_internals_by_cartesians(self, order=None, coords=None, strip_embedding=True):
expresses raw internals or modes (internals or Cartesian) in terms of mass-weighted Cartesians
order:Anystrip_embedding:Any:returns:_
get_cartesians_by_internals(self, order=None, coords=None, strip_embedding=True):
expresses raw internals or modes (internals or Cartesian) in terms of mass-weighted Cartesians
order:Anystrip_embedding:Any:returns:_
get_inertia_tensor_expansion(self, order=None, strip_embedding=True):
get_inertial_frame(self):
get_modes_by_coords(self, mass_weighted=None, frequency_scaled=None):
get_coords_by_modes(self, mass_weighted=None, frequency_scaled=None):