sknano.core.atoms.EnergyAtom

class sknano.core.atoms.EnergyAtom(*args, *, pe=None, ke=None, etotal=None, **kwargs)[source][source]

An Atom class with energy attributes.

Parameters:

element : {str, int}, optional

A string representation of the element symbol or an integer specifying an element atomic number.

Attributes

Z Atomic number \(Z\).
element Element symbol.
etotal Atom total energy (pe + ke).
fmtstr Format string.
ke Atom kinetic energy.
m
mass Atomic mass \(m_a\) in atomic mass units.
pe Atom potential energy.
symbol Element symbol.

Methods

rezero(*args, **kwargs)
rotate(**kwargs)
todict()
translate(*args, **kwargs)