sknano.core.atoms.EnergyAtom

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

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)