MolecularVibrations
__init__(self, molecule, basis, freqs=None, init=None):
Sets up a vibration for a Molecule object over the CoordinateSystem basis
molecule:AbstractMoleculeinit:None | CoordinateSetbasis:MolecularNormalModes
change_mol(self, mol):
@property
basis(self):
@property
molecule(self):
@property
freqs(self):
@property
coords(self):
:returns:CoordinateSet
__len__(self):
displace(self, displacements=None, amt=0.1, n=1, which=0):
Displaces along the vibrational mode specified by which
displacements:Anyamt:Anyn:Anywhich:Any:returns:_
visualize(self, step_size=5, steps=(2, 2), which=0, anim_opts=None, mode='fast', **plot_args):
step_size:Anysteps:Anywhich:Anyanim_opts:Anymode:Anyplot_args:Any:returns:_
to_widget(self):
__getitem__(self, item):
Takes a slice of the modes
item:Any:returns:_
embed(self, frame):
frame:MolecularTransformation:returns:_
rescale(self, scaling):
Multiplies each mode by some scaling factor
phases:Any:returns:_
rotate(self, scaling):
Multiplies each mode by some scaling factor
phases:Any:returns:_
__repr__(self):