Atom

Class

Atom([name, position, spin, magmom, ...])

Atom class.

Id attributes

Atom.name	Name of the atom.
Atom.type	Type of an atom (i.e. Cr, Ni, ...).
Atom.index	Index of an atom, meant to be unique in some abstract group of atoms.
Atom.fullname	Fullname (Atom.name`+``__``+:py:attr:`Atom.index) of an atom.

Position

Atom.position

Relative or absolute position of the atom in some units.

Magnetic properties

Atom.g_factor	g-factor of an atom, relates its Atom.spin with its Atom.magmom.magmom
Atom.spin	Spin value of the atom.
Atom.spin_direction	Direction of the classical spin vector.
Atom.spin_vector	Classical spin vector of the atom.
Atom.spin_angles	Polar \(\theta\) and azimuthal \(\varphi\) angles of the spin vector:
Atom.magmom	Magnetic moment of the atom.

Electric properties

Atom.charge

Charge of the atom.

Independent copy

Atom.copy()

Create a copy of the atom.