sknano.core.atoms.PBCAtom

class sknano.core.atoms.PBCAtom(*args, *, xperiodic=False, yperiodic=False, zperiodic=False, **kwargs)

Atom class with PBC attributes.

Parameters:

element : {str, int}, optional

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

xperiodic, yperiodic, zperiodic : bool, optional

PBC along each \(x, y, z\) axis

Attributes

Z	Atomic number \(Z\).
element	Element symbol.
fmtstr	Format string.
m
mass	Atomic mass \(m_a\) in atomic mass units.
pbc
symbol	Element symbol.
xperiodic
yperiodic
zperiodic

Methods

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