MolecularVibrations
__init__(self, molecule, basis, freqs=None, init=None):
Sets up a vibration for a Molecule object over the CoordinateSystem basis
molecule
:AbstractMolecule
init
:None | CoordinateSet
basis
: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
:Any
amt
:Any
n
:Any
which
:Any
:returns
:_
visualize(self, step_size=5, steps=(2, 2), which=0, anim_opts=None, mode='fast', **plot_args):
step_size
:Any
steps
:Any
which
:Any
anim_opts
:Any
mode
:Any
plot_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):