DipoleAtom

class sknano.core.atoms.DipoleAtom(*args, px=None, py=None, pz=None, **kwargs)

Bases: sknano.core.atoms.atoms.Atom

An Atom sub-class with electric dipole moment attributes.

Parameters:

• element ({str, int}, optional) – A string representation of the element symbol or an integer specifying an element atomic number.
• py, pz (px,) – \(p_x, p_y, p_z\) components of DipoleAtom dipole moment.

Attributes

Z	Atomic number \(Z\).
element	Element symbol.
fmtstr	Format string.
m	An alias for mass.
mass	Atomic mass \(m_a\) in atomic mass units.
p	Dipole moment \(\mathbf{p}=q\mathbf{d}\).
px	\(x\) component of DipoleAtom dipole moment vector
py	\(x\) component of DipoleAtom dipole moment vector
pz	\(z\) component of DipoleAtom dipole moment vector
symbol	Element symbol.

Methods

getattr(attr[, default, recursive])	Get atom attribute named attr.
reset_attrs(**kwargs)	Reset atom attributes.
rezero([epsilon])	Re-zero dipole moment vector components.
rotate(**kwargs)	Rotate Atom dipole moment vector.
todict()	Return dict of constructor parameters.
update_attrs(**kwargs)	Update atom attributes.

Attributes Summary

p	Dipole moment \(\mathbf{p}=q\mathbf{d}\).
px	\(x\) component of DipoleAtom dipole moment vector
py	\(x\) component of DipoleAtom dipole moment vector
pz	\(z\) component of DipoleAtom dipole moment vector

Methods Summary

rezero([epsilon])	Re-zero dipole moment vector components.
rotate(**kwargs)	Rotate Atom dipole moment vector.
todict()	Return dict of constructor parameters.

Attributes Documentation

p

Dipole moment \(\mathbf{p}=q\mathbf{d}\).

px

\(x\) component of DipoleAtom dipole moment vector

py

\(x\) component of DipoleAtom dipole moment vector

pz

\(z\) component of DipoleAtom dipole moment vector

Methods Documentation

rezero(epsilon=1e-10)

Re-zero dipole moment vector components.

Set dipole moment vector components with absolute value less than epsilon to zero.

Parameters:epsilon (float) – smallest allowed absolute value of any \(x,y,z\) component.

rotate(**kwargs)

Rotate Atom dipole moment vector.

Parameters:

• angle (float) –
• axis (Vector, optional) –
• anchor_point (Point, optional) –
• rot_point (Point, optional) –
• to_vector (from_vector,) –
• degrees (bool, optional) –
• transform_matrix (ndarray) –

todict()

Return dict of constructor parameters.