Atom#

Class#

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

Atom class.

Id attributes#

Atom.name

Name of the atom.

Atom.index

Index of an atom, meant to be unique for some group of atoms.

Atom.type

Type of an atom (i.e. Cr, Ni, ...).

Atom.fullname

Fullname (name__index) of an atom.

Spin#

Atom.spin

Spin value of the atom.

Atom.spin_direction

Classical spin direction of the atom.

Atom.spin_vector

Classical spin vector of the atom.

Other properties#

Atom.magmom

Magnetic moment of the atom.

Atom.charge

Charge of the atom.